SCHEMBL6793083

SCHEMBL6793083

Nc1ccc2c(c1)C(CN1CCC(O)(c3ccc(Cl)c(C(F)(F)F)c3)CC1)CC2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 16/20 0.62
OPRL1 P41146 9/20 0.62
OPRD1 P41143 8/20 0.62
OPRK1 P41145 8/20 0.62
SIGMAR1 Q99720 1/20 0.49
HTR1A P08908 7/20 0.48
DRD2 P14416 7/20 0.48
DRD4 P21917 7/20 0.48
HTR2A P28223 7/20 0.48
HTR2C P28335 7/20 0.48
HTR7 P34969 7/20 0.48
HRH2 P25021 6/20 0.48
DRD3 P35462 6/20 0.48
HTR2B P41595 6/20 0.48
HTR1D P28221 6/20 0.48
DRD1 P21728 5/20 0.48
DRD5 P21918 5/20 0.48
SLC6A2 P23975 5/20 0.48
SLC6A4 P31645 5/20 0.48
HTR6 P50406 5/20 0.48

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
SCHEMBL6789967 0.84 OPRM1 (0.55) OPRM1OPRL1OPRD1OPRK1SIGMAR1
SCHEMBL11735355 0.76 OPRM1 (0.56) OPRM1OPRL1OPRD1OPRK1SIGMAR1
SCHEMBL27481804 0.75 OPRM1 (0.53) OPRM1OPRL1OPRD1OPRK1SIGMAR1
SCHEMBL3859039 0.73 OPRM1 (0.70) OPRM1OPRL1OPRD1OPRK1SIGMAR1
SCHEMBL14282239 0.73 OPRM1 (0.76) OPRM1OPRL1OPRD1OPRK1HTR1A
SCHEMBL6803187 0.73 MTNR1A (0.42) OPRM1OPRL1OPRD1OPRK1SIGMAR1
SCHEMBL9910970 0.71 OPRM1 (0.66) OPRM1OPRL1OPRD1OPRK1HTR1A
SCHEMBL3850816 0.71 OPRM1 (0.69) OPRM1OPRL1OPRD1OPRK1HTR1A
SCHEMBL14282238 0.71 OPRM1 (0.67) OPRM1OPRL1OPRD1OPRK1SIGMAR1
SCHEMBL6795583 0.71 MAPT (0.53) HTR1ADRD2DRD4HTR2AHTR7

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
EP-0783518-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO. INC. (US) 1997-07-16 EP claimed
US-6767907-B2 FOR THERAPY OF PSYCHIC AND NEUROLOGIC DISORDERS H. LUNDBECK A/S (DK) 2004-07-27 US disclosed
US-6743808-B1 PSYCHOLOGICAL AND NEUROLOGIC DISORDERS; CENTRAL SEROTONERGIC 5-HT1A AND 5-HT2A RECEPTOR ANTAGONISTS H. LUNDBECK A/S (DK) 2004-06-01 US disclosed
US-20030195356-A1 4-Aryl-1-(indanmethyl dihydrobenzofuranmethyl or dihydrobenzothiophenemethyl) piperidines tetrahydropyridines or piperazines PERREGAARD JENS KRISTIAN (DK) 2003-10-16 US disclosed
US-6218394-B1 FOR THERAPY OF SCHIZOPHRENIA, OTHER PSYCHOSES, ANXIETY DISORDERS, SUCH AS GENERALISED ANXIETY DISORDER, PANIC DISORDER H. LUNDBECK A/S (DK) 2001-04-17 US disclosed
EP-0765311-B1 4-ARYL-1-(INDANMETHYL, DIHYDROBENZOFURANMETHYL OR DIHYDROBENZOTHIOPHENEMETHYL)PIPERIDINES, TETRAHYDROPYRIDINES OR PIPERAZINES LUNDBECK & CO AS H (DK) 2000-10-04 EP disclosed
EP-0765311-A1 4-ARYL-1-(INDANMETHYL, DIHYDROBENZOFURANMETHYL OR DIHYDROBENZOTHIOPHENEMETHYL)PIPERIDINES, TETRAHYDROPYRIDINES OR PIPERAZINES H. LUNDBECK A/S (DK) 1997-04-02 EP disclosed
WO-1995033721-A1 4-ARYL-1-(INDANMETHYL, DIHYDROBENZOFURANMETHYL OR DIHYDROBENZOTHIOPHENEMETHYL)PIPERIDINES, TETRAHYDROPYRIDINES OR PIPERAZINES H. LUNDBECK A/S (DK) 1995-12-14 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-20030195356-A1 4-Aryl-1-(indanmethyl dihydrobenzofuranmethyl or dihydrobenzothiophenemethyl) piperidines tetrahydropyridines or piperazines CNR1, TPH1, CNR2 OPRM1 15/4885OPRL1 19/4885OPRD1 6/4885

“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.