SCHEMBL1778153

SCHEMBL1778153

CCOC(=O)C=C(C)N1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 10/20 0.41
LMNA P02545 2/20 0.41
USP2 O75604 1/20 0.41
ALOX12 P18054 1/20 0.41
HPGD P15428 3/20 0.40
TSHR P16473 4/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
THRB P10828 1/20 0.39
ATM Q13315 1/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
GAA P10253 1/20 0.39
HCAR2 Q8TDS4 1/20 0.38
NOS3 P29474 1/20 0.37

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
SCHEMBL535867 1.00 NPSR1 (0.46) NPSR1ALDH1A1LMNAUSP2ALOX12
SCHEMBL106944 1.00 NPSR1 (0.46) NPSR1ALDH1A1LMNAUSP2ALOX12
SCHEMBL7975644 0.98 NPSR1 (0.44) NPSR1ALDH1A1LMNAUSP2ALOX12
SCHEMBL11719535 0.98 NPSR1 (0.44) NPSR1ALDH1A1LMNAUSP2ALOX12
SCHEMBL11721142 0.86 CYP1A2 (0.44) NPSR1ALDH1A1TSHRL3MBTL1RAB9A
SCHEMBL27615284 0.84 TSHR (0.59) NPSR1ALDH1A1LMNAHPGDTSHR
SCHEMBL13992867 0.83 NPSR1 (0.41) NPSR1ALDH1A1L3MBTL1THRBATM
SCHEMBL13994790 0.83 NPSR1 (0.41) NPSR1ALDH1A1L3MBTL1THRBATM
SCHEMBL9370225 0.81 ALDH1A1 (0.38) ALDH1A1LMNAUSP2ALOX12HPGD
SCHEMBL5996150 0.81 ALDH1A1 (0.38) ALDH1A1LMNAUSP2ALOX12HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208992-A1 MACROCYCLES AS CFTR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2024-06-27 US disclosed
EP-4308575-A1 MACROCYCLES AS CFTR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2024-01-24 EP disclosed
CN-116981672-A Macrocyclic compounds as CFTR modulators 爱杜西亚药品有限公司 2023-10-31 CN disclosed
WO-2022194399-A1 MACROCYCLES AS CFTR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2022-09-22 WO disclosed
US-9290465-B2 Substituted isoxazole amine compounds as inhibitors of SCD1 HOFFMANN-LA ROCHE INC. (US) 2016-03-22 US disclosed
US-20150315160-A1 SUBSTITUTED ISOXAZOLE AMINE COMPOUNDS AS INHIBITORS OF SCD1 HOFFMANN-LA ROCHE INC. 2015-11-05 US disclosed
US-8877782-B2 Isoxazolo-pyridine derivatives ROCHE PALO ALTO LLC (US) 2014-11-04 US disclosed
US-20130274468-A1 ISOXAZOLO-PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-10-17 US disclosed
US-8518974-B2 Isoxazolo-pyridine derivatives Hoffmann-La Roche Inc (US) 2013-08-27 US disclosed
EP-2414354-B1 Hydroxy-methyl isoxazole derivatives as gaba a modulators HOFFMANN LA ROCHE (CH) 2012-12-12 EP disclosed
US-7094908-B2 Reduction of carbonyl compounds using the carbonyl reductase of Kluyveromyces marxianus KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2006-08-22 US disclosed
US-7053219-B2 Isoxazolopyridone derivatives and their use BANYU PHARMACEUTICAL CO. LTD. (JP) 2006-05-30 US disclosed
US-20040176407-A1 Novel isoxazolopyridone derivatives and their use BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-09-09 US disclosed
EP-1408042-A1 NOVEL ISOXAZOLOPYRIDONE DERIVATIVES AND USE THEREOF BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-04-14 EP disclosed
US-20030139464-A1 Reduction of carbonyl compounds using the carbonyl reductase of kluyveromyces marxianus KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY 2003-07-24 US disclosed
US-5594024-A ANTIDEPRESSANTS; TREATMENT OF NARCOLEPSY, SCHIZOPHRENIA, DRUG ABUSE THE UPJOHN COMPANY (US) 1997-01-14 US disclosed
US-5462947-A Nervous system disorders THE UPJOHN COMPANY (US) 1995-10-31 US disclosed
EP-0641320-A1 NEW CENTRALLY ACTING SUBSTITUTED PHENYLAZACYCLOALKANES PHARMACIA & UPJOHN COMPANY (US) 1995-03-08 EP disclosed
WO-1992018475-A2 SUBSTITUTED PHENYLAZACYCLOALKANES AS CNS AGENTS THE UPJOHN COMPANY (US) 1992-10-29 WO disclosed
US-4027037-A ARTHROPOD METAMORPHOSIS INHIBITORS BAYER AKTIENGESELLSCHAFT (DT) 1977-05-31 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 (5 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-20030139464-A1 Reduction of carbonyl compounds using the carbonyl reductase of kluyveromyces marxianus CBR1, CBR3, DCXR NPSR1 2849/4885ALDH1A1 216/4885LMNA 3634/4885
US-20130274468-A1 ISOXAZOLO-PYRIDINE DERIVATIVES GABRA5, GABRA1, GABRA4 NPSR1 119/4885ALDH1A1 955/4885LMNA 3905/4885
US-20240208992-A1 MACROCYCLES AS CFTR MODULATORS CFTR, PKD1, ARRB1 NPSR1 1881/4885ALDH1A1 2257/4885LMNA 3733/4885
US-20150315160-A1 SUBSTITUTED ISOXAZOLE AMINE COMPOUNDS AS INHIBITORS OF SCD1 SCD, CPT1A, SCD5 NPSR1 1135/4885ALDH1A1 69/4885LMNA 1327/4885
US-20040176407-A1 Novel isoxazolopyridone derivatives and their use GRIN2A, GRM2, GRM1 NPSR1 165/4885ALDH1A1 916/4885LMNA 4630/4885

“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.