SCHEMBL6796517

SCHEMBL6796517

CC(=O)Nc1ccc2c(c1)C(CN1CC=C(c3cn(C)c4cc(Cl)ccc34)CC1)CC2

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.43
HTR1D P28221 2/20 0.40
SCN9A Q15858 2/20 0.36
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
KCNH2 Q12809 1/20 0.34
MCHR1 Q99705 2/20 0.34
DRD2 P14416 4/20 0.34
DRD3 P35462 4/20 0.34
KCNA5 P22460 1/20 0.33
HTR1A P08908 1/20 0.33

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
SCHEMBL6796034 0.84 MTNR1A (0.43) MTNR1AHTR1DCCNT1CDK9KCNH2
SCHEMBL6796026 0.84 HTR1D (0.48) MTNR1AHTR1DDRD2HTR1A
SCHEMBL6794772 0.84 MTNR1A (0.51) MTNR1AKCNA5HTR1A
SCHEMBL7220373 0.83 HTR1D (0.40) HTR1DKCNH2DRD2HTR1A
SCHEMBL6794901 0.83 MTNR1A (0.46) MTNR1AHTR1DKCNH2MCHR1DRD2
SCHEMBL6796662 0.83 OPRM1 (0.50) DRD2HTR1A
SCHEMBL7219879 0.79 HTR1D (0.54) MTNR1AHTR1DDRD2HTR1A
SCHEMBL7219902 0.78 HTR1D (0.52) HTR1DDRD2HTR1A
SCHEMBL7213738 0.77 HTR1D (0.51) MTNR1AHTR1DDRD2HTR1A
SCHEMBL6796243 0.77 MTNR1A (0.51) MTNR1ACCNT1CDK9KCNH2MCHR1

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-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

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 91/4885HTR1D 4/4885SCN9A 596/4885

“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.