SCHEMBL4976109

SCHEMBL4976109

CN1CC2(CCN(CC(Cc3ccccc3Cl)C(=O)N3CC(O)C3)CC2)c2cc(F)ccc21

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 3/20 0.41
OPRL1 P41146 11/20 0.41
SLC18A3 Q16572 4/20 0.41
SIGMAR1 Q99720 3/20 0.41
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 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
SCHEMBL4976108 1.00 GNRHR (0.41) GNRHROPRL1SLC18A3SIGMAR1HDAC1
SCHEMBL4981142 0.94 OPRL1 (0.41) GNRHROPRL1SLC18A3SIGMAR1HDAC1
SCHEMBL4981139 0.94 OPRL1 (0.41) GNRHROPRL1SLC18A3SIGMAR1HDAC1
SCHEMBL14201314 0.94 GNRHR (0.41) GNRHROPRL1SLC18A3SIGMAR1HDAC1
Citric Acid SCHEMBL4976046 0.93 GNRHR (0.38) GNRHROPRL1SLC18A3SIGMAR1HDAC1
Citric Acid SCHEMBL4976042 0.93 GNRHR (0.38) GNRHROPRL1SLC18A3SIGMAR1HDAC1
Citric Acid SCHEMBL4976477 0.88 GNRHR (0.37) GNRHROPRL1SLC18A3SIGMAR1HDAC1
Citric Acid SCHEMBL4976473 0.88 GNRHR (0.37) GNRHROPRL1SLC18A3SIGMAR1HDAC1
SCHEMBL4976342 0.87 SLC18A3 (0.45) GNRHROPRL1SLC18A3SIGMAR1HDAC1
SCHEMBL4976349 0.87 SLC18A3 (0.45) GNRHROPRL1SLC18A3SIGMAR1HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7354925-B2 Alpha aryl or heteroaryl methyl beta piperidino propanamide compounds as ORL1-receptor antagonists PFIZER INC. (US) 2008-04-08 US disclosed
US-20070197500-A1 3-(2,3-Dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-yl)-N,N-dimethyl-2-(pyridin-2-ylmethyl)propanamide; opioid receptor-like 1 antagonist; reduced inhibitory activity at HERG potassium channel; analgesic; side effect reduction; neurpathic and other pain PFIZER, INC. 2007-08-23 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-20070197500-A1 3-(2,3-Dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-yl)-N,N-dimethyl-2-(pyridin-2-ylmethyl)propanamide; opioid receptor-like 1 antagonist; reduced inhibitory activity at HERG potassium channel; analgesic; side effect reduction; neurpathic and other pain OPRL1, OPRD1, OPRK1 GNRHR 2149/4885OPRL1 1/4885SLC18A3 2071/4885

“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.