SCHEMBL6795986

SCHEMBL6795986

CC(=O)Nc1ccc2c(c1)C(CN1CCC(c3cccc(F)c3)CC1)CC2

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.52
MTNR1A P48039 1/20 0.51
MCHR1 Q99705 13/20 0.46
DRD2 P14416 2/20 0.44
KCNH2 Q12809 2/20 0.44
NPC1 O15118 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
SCHEMBL6789667 0.89 MTNR1A (0.53) MTNR1AMCHR1KCNH2NPC1
SCHEMBL6796252 0.88 MCHR1 (0.49) MTNR1AMCHR1DRD2
SCHEMBL6801874 0.85 MTNR1A (0.51) MTNR1AMCHR1DRD2
SCHEMBL6793833 0.85 MTNR1A (0.53) DRD4MTNR1AMCHR1
SCHEMBL6794918 0.84 MTNR1A (0.54) DRD4MTNR1AMCHR1DRD2NPC1
SCHEMBL6794431 0.84 MTNR1A (0.52) MTNR1AMCHR1DRD2KCNH2
SCHEMBL6793747 0.83 MTNR1A (0.53) DRD4MTNR1AMCHR1DRD2
SCHEMBL6795946 0.83 MTNR1A (0.53) DRD4MTNR1AMCHR1DRD2KCNH2
SCHEMBL6795188 0.82 MTNR1A (0.52) DRD4MTNR1AMCHR1DRD2
SCHEMBL6802395 0.82 MTNR1A (0.52) MTNR1AMCHR1DRD2

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 DRD4 26/4885MTNR1A 91/4885MCHR1 92/4885

“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.