SCHEMBL4869991

SCHEMBL4869991

CC(C)(C)OC(=O)N1CCC(Sc2ccc(O)cc2Cl)CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.51
STS P08842 5/20 0.47
GPR119 Q8TDV5 6/20 0.45
MAPT P10636 2/20 0.45
ALDH1A1 P00352 2/20 0.45
NPC1 O15118 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 1/20 0.44
THRB P10828 1/20 0.44
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPN6 P29350 1/20 0.44
KMT2A Q03164 1/20 0.44
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43

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
SCHEMBL4866536 0.93 ESR2 (0.49) ESR2STSGPR119MAPTALDH1A1
SCHEMBL4873955 0.93 ESR2 (0.49) ESR2STSGPR119MAPTALDH1A1
SCHEMBL70917 0.85 STS (0.55) STSGPR119MAPTALDH1A1NPC1
SCHEMBL4874428 0.83 MAPT (0.43) MAPTALDH1A1MAPK1HTTKDM4E
SCHEMBL4872690 0.83 MAPT (0.43) MAPTALDH1A1MAPK1HTTKDM4E
SCHEMBL17398495 0.81 ESR2 (0.52) ESR2STSGPR119MAPTALDH1A1
SCHEMBL6615109 0.81 HSD17B10 (0.33) ESR2
SCHEMBL1532538 0.81 GPR119 (0.55) ESR2GPR119MAPTALDH1A1NPC1
SCHEMBL2683606 0.80 GPR119 (0.45) STSGPR119KMT2A
SCHEMBL2683609 0.80 GPR119 (0.45) STSGPR119KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7408067-B2 Aza-cyclic compounds as modulators of acetylcholine receptors MERCK + CO., INC. (US) 2008-08-05 US disclosed
US-7408067-B2 Aza-cyclic compounds as modulators of acetylcholine receptors MERCK + CO., INC. (US) 2008-08-05 US disclosed
US-7408067-B2 Aza-cyclic compounds as modulators of acetylcholine receptors MERCK + CO., INC. (US) 2008-08-05 US disclosed
US-20050070520-A1 Aza-cyclic compounds as modulators of acetylcholine receptors MERCK SHARP & DOHME CORP. 2005-03-31 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 (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-20050070520-A1 Aza-cyclic compounds as modulators of acetylcholine receptors CHRNG, CHRNA4, CHRNB4 ESR2 949/4885STS 841/4885GPR119 56/4885

“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.