SCHEMBL6803187

SCHEMBL6803187

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.42
OPRM1 P35372 2/20 0.42
OPRL1 P41146 2/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
TRPV1 Q8NER1 2/20 0.40
MCHR1 Q99705 4/20 0.40
CCR2 P41597 1/20 0.40
KCNH2 Q12809 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
MAPT P10636 3/20 0.38
LMNA P02545 3/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
EPHX2 P34913 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 1/20 0.37
TP53 P04637 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 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
SCHEMBL6789967 0.89 OPRM1 (0.55) MTNR1AOPRM1OPRL1OPRD1OPRK1
SCHEMBL6789882 0.82 MAPT (0.52) MTNR1ATRPV1CCR2KCNH2MAPT
SCHEMBL6795199 0.77 MTNR1A (0.51) MTNR1AOPRM1OPRL1MCHR1SIGMAR1
SCHEMBL6794950 0.73 MTNR1A (0.53) MTNR1ACCR2KCNH2MAPTALDH1A1
SCHEMBL8432255 0.73 MTNR1A (0.62) MTNR1AMAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL6793083 0.73 OPRM1 (0.62) OPRM1OPRL1OPRD1OPRK1SIGMAR1
SCHEMBL6794431 0.72 MTNR1A (0.52) MTNR1AMCHR1CCR2KCNH2MAPT
SCHEMBL6796760 0.71 MTNR1A (0.53) MTNR1AMAPTALDH1A1SMN1; SMN2
SCHEMBL6795987 0.71 MTNR1A (0.54) MTNR1AMAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL6796378 0.70 MTNR1A (0.51) MTNR1ATRPV1MCHR1MAPTLMNA

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-0765311-B1 4-ARYL-1-(INDANMETHYL, DIHYDROBENZOFURANMETHYL OR DIHYDROBENZOTHIOPHENEMETHYL)PIPERIDINES, TETRAHYDROPYRIDINES OR PIPERAZINES LUNDBECK & CO AS H (DK) 2000-10-04 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 MTNR1A 91/4885OPRM1 15/4885OPRL1 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.