SCHEMBL3772170

SCHEMBL3772170

CC(C)(C)C1CC(O)(c2cccc(F)c2F)CCN1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 4/20 0.38
HDAC4 P56524 2/20 0.37
PKLR P30613 7/20 0.36
OPRM1 P35372 2/20 0.36
OPRD1 P41143 2/20 0.36
OPRK1 P41145 2/20 0.36
DRD2 P14416 2/20 0.34
MC4R P32245 1/20 0.34
METAP2 P50579 1/20 0.33
GRIN2B Q13224 1/20 0.32
HSD11B1 P28845 1/20 0.32

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
SCHEMBL3387388 0.81 MC4R (0.40) OPRL1OPRM1OPRK1DRD2MC4R
SCHEMBL3765943 0.81 DRD2 (0.45) DRD2HSD11B1
SCHEMBL4152521 0.81 HDAC4 (0.39) OPRL1HDAC4OPRM1OPRD1OPRK1
SCHEMBL18689716 0.79 DRD2 (0.44) OPRL1OPRM1OPRD1OPRK1DRD2
SCHEMBL2426424 0.79 HDAC4 (0.39) OPRL1HDAC4PKLROPRM1OPRD1
SCHEMBL4380567 0.77 PKLR (0.47) OPRL1HDAC4PKLROPRM1OPRD1
SCHEMBL17350664 0.76 HSD11B1 (0.35) OPRM1OPRD1OPRK1HSD11B1
SCHEMBL3386011 0.74 KCNN4 (0.39) OPRL1OPRM1OPRD1OPRK1DRD2
SCHEMBL2424589 0.74 HDAC4 (0.36) OPRL1HDAC4OPRM1HSD11B1
SCHEMBL2534962 0.72 HDAC4 (0.43) OPRL1HDAC4PKLROPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7851629-B2 Disubstituted phenylpiperidines as modulators of dopamine and serotonin neurotransmission NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2010-12-14 US disclosed
EP-1768958-B1 NEW DISUBSTITUTED PHENYLPIPERIDINES AS MODULATORS OF DOPAMINE AND SEROTONIN NEUROTRANSMISSION NSAB AF NEUROSEARCH SWEDEN AB (DK) 2009-11-18 EP disclosed
US-20070179185-A1 NEW DISUBSTITUTED PHENYLPIPERIDINES AS MODULATORS OF DOPAMINE AND SEROTONIN NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2007-08-02 US disclosed
EP-1768958-A1 NEW DISUBSTITUTED PHENYLPIPERIDINES AS MODULATORS OF DOPAMINE AND SEROTONIN NEUROTRANSMISSION A. CARLSSON RESEARCH AB (SE) 2007-04-04 EP disclosed
WO-2005121088-A1 NEW DISUBSTITUTED PHENYLPIPERIDINES AS MODULATORS OF DOPAMINE AND SEROTONIN NEUROTRANSMISSION A. CARLSSON RESEARCH AB (SE) 2005-12-22 WO 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-20070179185-A1 NEW DISUBSTITUTED PHENYLPIPERIDINES AS MODULATORS OF DOPAMINE AND SEROTONIN NEUROTRANSMISSION DRD2, DRD4, HTR4 OPRL1 22/4885HDAC4 1224/4885PKLR 3952/4885

“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.