SCHEMBL6795043

SCHEMBL6795043

Nc1ccc2c(c1)C(CN1CCC(c3c[nH]c4ccc(F)cc34)CC1)CC2

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.60
OPRK1 P41145 3/20 0.60
OPRL1 P41146 3/20 0.60
HTR1D P28221 2/20 0.54
HTR1B P28222 1/20 0.54
HTR1A P08908 6/20 0.48
SLC6A4 P31645 6/20 0.48
HTR7 P34969 4/20 0.47
DRD2 P14416 3/20 0.47
HTR6 P50406 2/20 0.47
HTR2A P28223 1/20 0.47
HSD11B1 P28845 1/20 0.46
ADRA1D P25100 3/20 0.45
ADRA1B P35368 1/20 0.44

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
SCHEMBL7215929 0.84 OPRM1 (0.58) OPRM1OPRK1OPRL1HTR1DHTR1A
SCHEMBL6796369 0.82 OPRM1 (0.46) OPRM1OPRK1OPRL1HTR1DHTR1B
SCHEMBL6796075 0.82 HTR1D (0.60) OPRM1OPRK1OPRL1HTR1DHTR1B
Fumaric Acid SCHEMBL7219910 0.81 OPRM1 (0.52) OPRM1OPRK1OPRL1HTR1DHTR1B
Fumaric Acid SCHEMBL7219907 0.81 OPRM1 (0.52) OPRM1OPRK1OPRL1HTR1DHTR1B
SCHEMBL6789931 0.80 HTR2A (0.42) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL7214486 0.77 OPRM1 (0.56) OPRM1OPRK1OPRL1HTR1ASLC6A4
SCHEMBL19852177 0.76 HTR2A (0.41) HTR7DRD2HTR2A
SCHEMBL14280674 0.76 OPRL1 (1.00) OPRM1OPRK1OPRL1HTR1ASLC6A4
SCHEMBL8877428 0.75 OPRM1 (0.67) OPRM1OPRK1OPRL1HTR1DHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 15/4885OPRK1 29/4885OPRL1 19/4885

“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.