SCHEMBL4980087

SCHEMBL4980087

CN(C)C(=O)C(Cc1ccccc1)CN1CCC2(CC1)CN(C)c1ccc(F)cc12

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 10/20 0.49
SLC18A3 Q16572 4/20 0.46
SIGMAR1 Q99720 4/20 0.46
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
FFAR1 O14842 3/20 0.38
OPRM1 P35372 1/20 0.37
TACR1 P25103 1/20 0.37
TACR3 P29371 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
SCHEMBL4980083 1.00 OPRL1 (0.49) OPRL1SLC18A3SIGMAR1HDAC1HDAC8
Citric Acid SCHEMBL4979813 0.93 OPRL1 (0.43) OPRL1SLC18A3SIGMAR1HDAC1HDAC8
Citric Acid SCHEMBL4979815 0.93 OPRL1 (0.43) OPRL1SLC18A3SIGMAR1HDAC1HDAC8
SCHEMBL4975877 0.91 SLC18A3 (0.48) OPRL1SLC18A3SIGMAR1HDAC1HDAC8
SCHEMBL4975870 0.91 SLC18A3 (0.48) OPRL1SLC18A3SIGMAR1HDAC1HDAC8
SCHEMBL14201270 0.90 SLC18A3 (0.48) OPRL1SLC18A3SIGMAR1HDAC1HDAC8
SCHEMBL4976744 0.87 OPRL1 (0.55) OPRL1SLC18A3SIGMAR1HDAC1HDAC8
SCHEMBL4976748 0.87 OPRL1 (0.55) OPRL1SLC18A3SIGMAR1HDAC1HDAC8
SCHEMBL4975864 0.87 SLC18A3 (0.45) OPRL1SLC18A3SIGMAR1HDAC1HDAC8
SCHEMBL4975856 0.87 SLC18A3 (0.45) OPRL1SLC18A3SIGMAR1HDAC1HDAC8

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 OPRL1 1/4885SLC18A3 2071/4885SIGMAR1 26/4885

“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.