SCHEMBL4976495

SCHEMBL4976495

CN1C(=O)C2(CCN(C(=O)OC(C)(C)C)CC2)c2cc(F)ccc21

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.53
OPRL1 P41146 3/20 0.53
OPRK1 P41145 2/20 0.53
IP6K1 Q92551 1/20 0.47
HDAC2 Q92769 2/20 0.44
HDAC1 Q13547 1/20 0.44
HRH3 Q9Y5N1 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
GPR119 Q8TDV5 1/20 0.40
TACR1 P25103 1/20 0.40
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
IDO2 Q6ZQW0 1/20 0.40
PDK2 Q15119 1/20 0.39
OPRD1 P41143 1/20 0.39
NR1H2 P55055 1/20 0.39
USP30 Q70CQ3 1/20 0.39

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
SCHEMBL4976498 1.00 OPRM1 (0.53) OPRM1OPRL1OPRK1IP6K1HDAC2
SCHEMBL20955524 0.88 IP6K1 (0.48) OPRM1OPRL1OPRK1IP6K1HRH3
SCHEMBL13480003 0.88 OPRM1 (0.52) OPRM1OPRL1OPRK1IP6K1HRH3
SCHEMBL13479994 0.87 OPRM1 (0.56) OPRM1OPRL1OPRK1IP6K1HRH3
SCHEMBL25354443 0.87 IP6K1 (0.58) OPRM1OPRL1OPRK1IP6K1HRH3
SCHEMBL31758740 0.87 IP6K1 (0.47) OPRM1OPRL1OPRK1IP6K1HRH3
SCHEMBL30623394 0.87 IP6K1 (0.58) OPRM1OPRL1OPRK1IP6K1HRH3
SCHEMBL17586454 0.87 IP6K1 (0.47) OPRM1OPRL1OPRK1IP6K1HRH3
SCHEMBL30507057 0.86 OPRK1 (0.46) OPRM1OPRL1OPRK1IP6K1HDAC2
SCHEMBL25316687 0.86 OPRK1 (0.46) OPRM1OPRL1OPRK1IP6K1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7655670-B2 1-((tetrahydropyran-2-yl)oxy-ethyl)-5-tert-butoxycarbonyl-spiro[indoline-3,4'-piperidin]-2-one; ORL-1 (orphan opioid receptor) G-protein coupled receptor; brain, psychological disorders JANSSEN PHARMACEUTICA N.V. (BE) 2010-02-02 US disclosed
US-7655670-B2 1-((tetrahydropyran-2-yl)oxy-ethyl)-5-tert-butoxycarbonyl-spiro[indoline-3,4'-piperidin]-2-one; ORL-1 (orphan opioid receptor) G-protein coupled receptor; brain, psychological disorders JANSSEN PHARMACEUTICA N.V. (BE) 2010-02-02 US disclosed
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-7279486-B2 Alpha aryl or heteroaryl methyl beta piperidino propanoic acid compounds as ORL1-receptor antagonists PFIZER INC. (US) 2007-10-09 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
US-20070112016-A1 Novel 3-spirocyclic indolyl derivatives useful as ORL-1 receptor modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2007-05-17 US disclosed
US-20070112016-A1 Novel 3-spirocyclic indolyl derivatives useful as ORL-1 receptor modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2007-05-17 US disclosed
US-20050277659-A1 Alpha aryl or heteroaryl methyl beta piperidino propanoic acid compounds as ORL1-receptor antagonists PFIZER JAPAN INC. (JP) 2005-12-15 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 (3 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-20070112016-A1 Novel 3-spirocyclic indolyl derivatives useful as ORL-1 receptor modulators OXER1, OGFRL1, NR1H2 OPRM1 53/4885OPRL1 6/4885OPRK1 20/4885
US-20050277659-A1 Alpha aryl or heteroaryl methyl beta piperidino propanoic acid compounds as ORL1-receptor antagonists OPRL1, OGFRL1, ORMDL3 OPRM1 7/4885OPRL1 1/4885OPRK1 6/4885
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 OPRM1 5/4885OPRL1 1/4885OPRK1 3/4885

“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.