SCHEMBL5196773

SCHEMBL5196773

CC(C)CCn1cc(Br)ccc1=O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACVRL1 P37023 1/20 0.41
ACVR1 Q04771 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
HTT P42858 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ADRA2A P08913 1/20 0.36
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GRM2 Q14416 2/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
ALOX12 P18054 1/20 0.34
PSMB1 P20618 1/20 0.34
PSMB5 P28074 1/20 0.34

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
SCHEMBL1468537 0.81 NPC1 (0.39) ACVRL1ACVR1NPC1RAB9AKMT2A
SCHEMBL2636371 0.80 ALDH1A1 (0.51) ACVRL1ACVR1KMT2AHTTALDH1A1
SCHEMBL9609785 0.79 ACVRL1 (0.39) ACVRL1ACVR1HTTALDH1A1ADRA2A
SCHEMBL3860760 0.77 KMT2A (0.40) NPC1RAB9AKMT2AALDH1A1POLB
SCHEMBL17247762 0.76 MAPT (0.46) NPC1RAB9AKMT2AHTTL3MBTL1
SCHEMBL22293821 0.76 ACVRL1 (0.39) ACVRL1ACVR1HTTALDH1A1ADRA2A
SCHEMBL589545 0.76 KMT2A (0.40) NPC1RAB9AKMT2AALDH1A1POLB
SCHEMBL588860 0.76 KMT2A (0.43) NPC1RAB9AKMT2AALDH1A1POLB
SCHEMBL22551881 0.75 KMT2A (0.40) NPC1RAB9AKMT2AALDH1A1POLB
SCHEMBL16064379 0.75 NPC1 (0.46) NPC1RAB9AKMT2A

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113354631-B 1,3,4-oxadiazole derivative and preparation method and application thereof 江苏大学 2022-11-18 CN claimed
CN-113354631-A 1,3, 4-oxadiazole derivative and preparation method and application thereof 江苏大学 2021-09-07 CN claimed
CN-111433195-B Pyridone derivatives and their use as selective ALK-2 inhibitors 诺华股份有限公司 2023-04-25 CN disclosed
CN-113354631-B 1,3,4-oxadiazole derivative and preparation method and application thereof 江苏大学 2022-11-18 CN disclosed
EP-3713927-B1 PYRIDINONE DERIVATIVES AND THEIR USE AS SELECTIVE ALK-2 INHIBITORS NOVARTIS AG (CH) 2021-12-15 EP disclosed
US-11160797-B2 Pyridinone derivatives and their use as selective ALK-2 inhibitors NOVARTIS AG (CH) 2021-11-02 US disclosed
US-11160797-B2 Pyridinone derivatives and their use as selective ALK-2 inhibitors NOVARTIS AG (CH) 2021-11-02 US disclosed
CN-113354631-A 1,3, 4-oxadiazole derivative and preparation method and application thereof 江苏大学 2021-09-07 CN disclosed
US-20200360357-A1 Pyridinone derivatives and their use as selective ALK-2 inhibitors NOVARTIS AG (CH) 2020-11-19 US disclosed
US-20200360357-A1 Pyridinone derivatives and their use as selective ALK-2 inhibitors NOVARTIS AG (CH) 2020-11-19 US disclosed
CN-111433195-A Pyridone derivatives and their use as selective A L K-2 inhibitors 诺华股份有限公司 2020-07-17 CN disclosed
EP-3661926-A1 SUBSTITUTED INDOLE COMPOUNDS USEFUL AS INHIBITORS OF TLR7/8/9 Bristol-Myers Squibb Company (US) 2020-06-10 EP disclosed
WO-2019028302-A1 SUBSTITUTED INDOLE COMPOUNDS USEFUL AS INHIBITORS OF TLR7/8/9 BRISTOL-MYERS SQUIBB COMPANY (US) 2019-02-07 WO disclosed
EP-1799646-B1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS JANSSEN PHARMACEUTICALS INC (US) 2014-12-10 EP disclosed
US-20130109652-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS ADDEX PHARMACEUTICALS S.A. (CH) 2013-05-02 US disclosed
US-8399493-B2 Pyridinone derivatives and their use as positive allosteric modulators of mGluR2-receptors Janssen Pharmaceuticals, Inc. (US) 2013-03-19 US disclosed
US-20070213323-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS Janssen Pharmaceuticals, Inc. 2007-09-13 US disclosed
EP-1799646-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-06-27 EP disclosed
WO-2006030032-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-03-23 WO 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 (4 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-20070213323-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRM3 ACVRL1 1206/4885ACVR1 1381/4885NPC1 3587/4885
US-20200360357-A1 Pyridinone derivatives and their use as selective ALK-2 inhibitors ALK, ACVR2B, ACVR1B ACVRL1 10/4885ACVR1 4/4885NPC1 2830/4885
US-11160797-B2 Pyridinone derivatives and their use as selective ALK-2 inhibitors ALK, ACVR2B, ACVR1B ACVRL1 10/4885ACVR1 4/4885NPC1 2830/4885
US-20130109652-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRIA2 ACVRL1 1894/4885ACVR1 2231/4885NPC1 3908/4885

“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.