SCHEMBL2539892

SCHEMBL2539892

Cc1cc(Cl)nc2ccc(C(C)C)cc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.58
▸ CYP3A4 P08684 1/20 0.58
▸ CYP2C19 P33261 1/20 0.58
▸ HIF1A Q16665 1/20 0.58
▸ LMNA P02545 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.41
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ SCN4A P35499 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TRPA1 O75762 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ CACNA1C Q13936 1/20 0.39
▸ TYR P14679 1/20 0.39
▸ NPFFR1 Q9GZQ6 1/20 0.38
▸ NPFFR2 Q9Y5X5 1/20 0.38
▸ SIRT2 Q8IXJ6 1/20 0.38
▸ SIRT1 Q96EB6 1/20 0.38
▸ KDM1A O60341 1/20 0.37
▸ PSMB5 P28074 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
SCHEMBL2538783 0.78 KDM4E (0.66) KDM4ECYP3A4CYP2C19HIF1AALDH1A1
SCHEMBL2538787 0.78 KDM4E (0.66) KDM4ECYP3A4CYP2C19HIF1ALMNA
SCHEMBL19499075 0.77 LMNA (0.38) KDM4ECYP3A4CYP2C19HIF1ALMNA
SCHEMBL14016599 0.76 LMNA (0.64) LMNANPC1RAB9ASCN4ASMN1; SMN2
SCHEMBL2535691 0.75 KDM4E (0.62) KDM4ECYP3A4CYP2C19HIF1ALMNA
SCHEMBL2534941 0.75 KDM4E (0.62) KDM4ECYP3A4CYP2C19HIF1ALMNA
SCHEMBL1223950 0.75 CYP2C19 (0.62) KDM4ECYP3A4CYP2C19HIF1AALDH1A1
SCHEMBL5910832 0.75 KDM4E (0.62) KDM4ECYP3A4CYP2C19HIF1ALMNA
SCHEMBL14286188 0.74 KDM4E (1.00) KDM4ECYP3A4CYP2C19HIF1ALMNA
SCHEMBL11657555 0.74 NFKB1 (0.42) KDM4ELMNAALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8044068-B2 Aminopyrrolidine compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-10-25 — — US disclosed
US-20090291940-A1 AMINOPYRROLIDINE COMPOUND TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-11-26 — — US disclosed
EP-2003131-A1 AMINOPYRROLIDINE COMPOUND Taisho Pharmaceutical Co. Ltd. (JP) 2008-12-17 — — EP 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 (1 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-20090291940-A1 AMINOPYRROLIDINE COMPOUND MC4R, MC5R, MC2R KDM4E 728/4885CYP3A4 1329/4885CYP2C19 1644/4885

“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.

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