SCHEMBL2606791

SCHEMBL2606791

CC(C)(C)N1CCCC(C(=O)O)C1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
KMT2A Q03164 2/20 0.43
HSD17B10 Q99714 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.38
AKR1C3 P42330 2/20 0.38
SLC6A1 P30531 2/20 0.38
SLC6A11 P48066 2/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12102748 1.00 ALDH1A1 (0.49) ALDH1A1KMT2AHSD17B10SMN1; SMN2KDM4E
SCHEMBL21042943 1.00 ALDH1A1 (0.49) ALDH1A1KMT2AHSD17B10SMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL21612902 0.98 ALDH1A1 (0.51) ALDH1A1KMT2AHSD17B10SMN1; SMN2KDM4E
SCHEMBL11977462 0.88 LMNA (0.46) ALDH1A1POLBLMNA
SCHEMBL15188004 0.88 LMNA (0.46) ALDH1A1POLBLMNA
SCHEMBL12102740 0.88 LMNA (0.46) ALDH1A1POLBLMNA
SCHEMBL11923163 0.85 ALDH1A1 (0.36) ALDH1A1KMT2AHSD17B10SMN1; SMN2MEN1
SCHEMBL4971987 0.85 ALDH1A1 (0.36) ALDH1A1KMT2AHSD17B10SMN1; SMN2MEN1
SCHEMBL8258796 0.83 ALDH1A1 (0.46) ALDH1A1KMT2AHSD17B10SMN1; SMN2KDM4E
SCHEMBL18501697 0.83 ATM (0.34) ALDH1A1KMT2AHSD17B10SMN1; SMN2MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 59 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11760761-B2 Methods and compositions for targeting PD-L1 ALIGOS THERAPEUTICS, INC. (US) 2023-09-19 US disclosed
US-20230192713-A1 METHODS AND COMPOSITIONS FOR TARGETING PD-L1 ALIGOS THERAPEUTICS, INC. 2023-06-22 US disclosed
US-20230192713-A1 METHODS AND COMPOSITIONS FOR TARGETING PD-L1 ALIGOS THERAPEUTICS, INC. 2023-06-22 US disclosed
CN-115710274-A IRAK4 degradation agent, preparation method and application thereof 上海领泰生物医药科技有限公司 2023-02-24 CN disclosed
US-20220110933-A1 METHODS OF TREATING DISEASE WITH MAGL INHIBITORS H. LUNDBECK A/S (DK) 2022-04-14 US disclosed
US-20210347785-A1 PREPARATION AND APPLICATION OF AROMATIC COMPOUND HAVING IMMUNOREGULATORY FUNCTION SHANGHAI ENNOVABIO PHARMACEUTICALS CO., LTD. (CN) 2021-11-11 US disclosed
US-11161856-B2 Spirocycle compounds and methods of making and using same H. LUNDBECK A/S (DK) 2021-11-02 US disclosed
US-20210214375-A1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2021-07-15 US disclosed
US-10781211-B2 Spirocycle compounds and methods of making and using same LUNDBECK LA JOLLA RESEARCH CENTER, INC. (US) 2020-09-22 US disclosed
US-10030020-B2 Spirocycle compounds and methods of making and using same ABIDE THERAPEUTICS, INC. (US) 2018-07-24 US disclosed
US-20120077711-A1 Novel Ligands and Libraries of Ligands SUNESIS PHARMACEUTICALS, INC. (US) 2012-03-29 US disclosed
US-20110269738-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-11-03 US disclosed
US-20110269738-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-11-03 US disclosed
US-20110150864-A1 SUBSTITUTED AMINOTHIAZOLONE INDAZOLES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-06-23 US disclosed
US-20100152197-A1 (4-TERT-BUTYLPIPERAZIN-2-YL)(PIPERAZIN-1-YL)METHANONE-N-CARBOXAMIDE DERIVATIVES ASTRAZENECA AB (SE) 2010-06-17 US disclosed
US-20090258858-A1 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-10-15 US disclosed
US-20090258858-A1 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-10-15 US disclosed
US-20090023703-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PROSIDION LIMITED (GB) 2009-01-22 US disclosed
US-7405210-B2 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase OSI PHARMACEUTICALS, INC. (US) 2008-07-29 US disclosed
US-20070244090-A9 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDE INHIBITORS OF GLYCOGEN PHOSPHORYLASE BRADLEY STUART E 2007-10-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (15 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10781211-B2 Spirocycle compounds and methods of making and using same ABHD6, ABHD16A, ACSL6 ALDH1A1 932/4885KMT2A 3691/4885HSD17B10 237/4885
US-20110269738-A1 COMPOUNDS CYP11B2, CYP11B1, GPR119 ALDH1A1 842/4885KMT2A 4470/4885HSD17B10 387/4885
US-20230192713-A1 METHODS AND COMPOSITIONS FOR TARGETING PD-L1 CD274, PDCD1LG2, PDCD1 ALDH1A1 301/4885KMT2A 2794/4885HSD17B10 712/4885
US-20220110933-A1 METHODS OF TREATING DISEASE WITH MAGL INHIBITORS MGLL, LIPA, PNLIP ALDH1A1 2174/4885KMT2A 2542/4885HSD17B10 393/4885
US-11161856-B2 Spirocycle compounds and methods of making and using same OPRL1, MGLL, VKORC1L1 ALDH1A1 1022/4885KMT2A 4106/4885HSD17B10 670/4885
US-11760761-B2 Methods and compositions for targeting PD-L1 CD274, PDCD1LG2, PDCD1 ALDH1A1 301/4885KMT2A 2794/4885HSD17B10 712/4885
US-20100152197-A1 (4-TERT-BUTYLPIPERAZIN-2-YL)(PIPERAZIN-1-YL)METHANONE-N-CARBOXAMIDE DERIVATIVES CCR2, CCR5, CNR2 ALDH1A1 1115/4885KMT2A 2528/4885HSD17B10 1902/4885
US-20090258858-A1 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS CHRM3, CHRNG, CHRM2 ALDH1A1 2948/4885KMT2A 2510/4885HSD17B10 2972/4885
US-20070244090-A9 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDE INHIBITORS OF GLYCOGEN PHOSPHORYLASE PYGL, PYGM, PYGB ALDH1A1 720/4885KMT2A 2476/4885HSD17B10 124/4885
US-20090023703-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PYGL, PYGM, PYGB ALDH1A1 720/4885KMT2A 2476/4885HSD17B10 124/4885
US-20210214375-A1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME OPRL1, MGLL, OPRK1 ALDH1A1 1735/4885KMT2A 4253/4885HSD17B10 931/4885
US-10030020-B2 Spirocycle compounds and methods of making and using same ABHD6, ABHD16A, ACSL6 ALDH1A1 932/4885KMT2A 3691/4885HSD17B10 237/4885
US-20120077711-A1 Novel Ligands and Libraries of Ligands LSS, ABCG2, SELL ALDH1A1 533/4885KMT2A 4667/4885HSD17B10 2891/4885
US-20210347785-A1 PREPARATION AND APPLICATION OF AROMATIC COMPOUND HAVING IMMUNOREGULATORY FUNCTION CD274, PDCD1, PDCD1LG2 ALDH1A1 235/4885KMT2A 1064/4885HSD17B10 3517/4885
US-20110150864-A1 SUBSTITUTED AMINOTHIAZOLONE INDAZOLES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS ESR2, ESRRA, IGF1R ALDH1A1 2302/4885KMT2A 1749/4885HSD17B10 3133/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.