SCHEMBL15024744

SCHEMBL15024744

Cc1cc(-c2cc(C3CC4CCC3N4C(=O)OC(C)(C)C)cnc2N)ccn1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 3/20 0.41
PIK3CB P42338 4/20 0.38
PIK3CD O00329 3/20 0.38
PIK3CG P48736 3/20 0.38
MTOR P42345 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
GPR119 Q8TDV5 2/20 0.38
UCHL1 P09936 1/20 0.36
HDAC1 Q13547 1/20 0.35
EGFR P00533 3/20 0.34
SRC P12931 3/20 0.34
ABL1 P00519 2/20 0.34
ABL2 P42684 2/20 0.34
KCNK3 O14649 2/20 0.34
KCNK9 Q9NPC2 2/20 0.34
EIF2AK4 Q9P2K8 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
SCHEMBL10138718 0.90 CHRNB2 (0.36) CHRM2CHRM1CHRM3GPR119UCHL1
SCHEMBL10138721 0.90 UCHL1 (0.36) CHRM2CHRM1CHRM3GPR119UCHL1
SCHEMBL15006984 0.90 GPR119 (0.38) CHRM2CHRM1CHRM3GPR119HDAC1
SCHEMBL15024919 0.89 GPR119 (0.37) PIK3CBPIK3CDPIK3CGMTORCHRM2
SCHEMBL10139707 0.87 GPR119 (0.40) CHRM2CHRM1CHRM3GPR119HDAC1
SCHEMBL15006726 0.86 CHRNB2 (0.43) CHRM2CHRM1CHRM3KCNK3KCNK9
SCHEMBL10139212 0.85 CHRM2 (0.38) PIK3CBPIK3CDPIK3CGMTORCHRM2
SCHEMBL10139708 0.85 CHEK2 (0.42) GPR119
SCHEMBL10138669 0.85 CHRM2 (0.36) CHRM2CHRM1CHRM3GPR119
SCHEMBL15024843 0.85 WNT3A (0.42) WNT3APIK3CBCHRM2CHRM1CHRM3

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-9284322-B2 Nicotinic receptor compounds RESEARCH TRIANGLE INSTITUTE (US) 2016-03-15 US disclosed
US-20150152119-A1 NICOTINIC RECEPTOR COMPOUNDS RES TRIANGLE INST (US) 2015-06-04 US disclosed
US-8981102-B2 Nicotinic receptor compounds RESEARCH TRIANGLE INSTITUTE (US) 2015-03-17 US disclosed
US-20130150373-A1 NICOTINIC RECEPTOR COMPOUNDS RESEARCH TRIANGLE INSTITUTE (US) 2013-06-13 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 (2 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-20130150373-A1 NICOTINIC RECEPTOR COMPOUNDS CHRNG, CHRNA7, CHRNA2 WNT3A 3151/4885PIK3CB 2099/4885PIK3CD 1997/4885
US-20150152119-A1 NICOTINIC RECEPTOR COMPOUNDS CHRNG, CHRNA7, CHRNA2 WNT3A 3151/4885PIK3CB 2099/4885PIK3CD 1997/4885

“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.