SCHEMBL6797358

SCHEMBL6797358

CC(=O)Nc1ccc2c(c1)C(CN1CCC(C3C(=O)Nc4cc(Cl)ccc43)CC1)CC2

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.46
TRPV1 Q8NER1 3/20 0.42
TNKS O95271 1/20 0.40
PARP1 P09874 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
NQO2 P16083 2/20 0.39
MDM2 Q00987 2/20 0.39
CRBN Q96SW2 2/20 0.37
MCHR1 Q99705 1/20 0.36
TP53 P04637 1/20 0.36
KCNH2 Q12809 1/20 0.36
DRD2 P14416 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL6795232 0.83 MTNR1A (0.46) MTNR1ATRPV1NQO2MCHR1DRD2
SCHEMBL6794807 0.78 MAPT (0.55) MTNR1AKCNH2MEN1MAPTKMT2A
SCHEMBL6795987 0.78 MTNR1A (0.54) MTNR1ATP53DRD2MEN1MAPT
SCHEMBL6796378 0.77 MTNR1A (0.51) MTNR1ATRPV1NQO2MCHR1DRD2
SCHEMBL6795199 0.77 MTNR1A (0.51) MTNR1AMCHR1DRD2MEN1KMT2A
SCHEMBL8432255 0.76 MTNR1A (0.62) MTNR1ANQO2MEN1MAPTKMT2A
SCHEMBL6795113 0.76 MTNR1A (0.46) MTNR1ATRPV1MCHR1TP53KCNH2
SCHEMBL6796471 0.76 MTNR1A (0.46) MTNR1A
SCHEMBL6795501 0.76 HTR1D (0.53) MTNR1A
SCHEMBL6796379 0.75 MTNR1A (0.47) MTNR1AMDM2MCHR1KCNH2DRD2

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 MTNR1A 91/4885TRPV1 128/4885TNKS 3471/4885

“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.