SCHEMBL6796252

SCHEMBL6796252

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

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 6/20 0.49
DRD2 P14416 2/20 0.48
MTNR1A P48039 1/20 0.48
KDM4E B2RXH2 2/20 0.46
POLB P06746 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KDM4C Q9H3R0 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
MEN1 O00255 1/20 0.43
UBE2M P61081 1/20 0.43
KMT2A Q03164 1/20 0.43
DCUN1D1 Q96GG9 1/20 0.43
CHRM4 P08173 1/20 0.43
TRPV1 Q8NER1 1/20 0.42
HTR2A P28223 1/20 0.42

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
SCHEMBL6795986 0.88 DRD4 (0.52) MCHR1DRD2MTNR1A
SCHEMBL6789667 0.83 MTNR1A (0.53) MCHR1MTNR1A
SCHEMBL6801874 0.83 MTNR1A (0.51) MCHR1DRD2MTNR1A
SCHEMBL6794918 0.82 MTNR1A (0.54) MCHR1DRD2MTNR1A
SCHEMBL6794431 0.81 MTNR1A (0.52) MCHR1DRD2MTNR1A
SCHEMBL6795946 0.81 MTNR1A (0.53) MCHR1DRD2MTNR1A
SCHEMBL6793747 0.81 MTNR1A (0.53) MCHR1DRD2MTNR1A
SCHEMBL6793833 0.81 MTNR1A (0.53) MCHR1MTNR1AKDM4EALDH1A1MEN1
SCHEMBL6795188 0.80 MTNR1A (0.52) MCHR1DRD2MTNR1AKDM4EALDH1A1
SCHEMBL6802395 0.80 MTNR1A (0.52) MCHR1DRD2MTNR1A

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 MCHR1 92/4885DRD2 7/4885MTNR1A 91/4885

“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.