SCHEMBL6794950

SCHEMBL6794950

CC(=O)Nc1ccc2c(c1)C(CN1CCN(c3ccc(Cl)c(Cl)c3)CC1)CC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.53
MAPT P10636 8/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
TP53 P04637 2/20 0.45
POLB P06746 1/20 0.45
ATM Q13315 1/20 0.45
HTR1A P08908 3/20 0.44
PANK3 Q9H999 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
THRB P10828 1/20 0.43
RECQL P46063 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KCNH2 Q12809 2/20 0.42
CCR2 P41597 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
SCHEMBL6795987 0.90 MTNR1A (0.54) MTNR1AMAPTHTTSMN1; SMN2TP53
SCHEMBL6789882 0.89 MAPT (0.52) MTNR1AMAPTHTTTP53POLB
SCHEMBL6794807 0.88 MAPT (0.55) MTNR1AMAPTHTTPOLBHTR1A
SCHEMBL6796760 0.86 MTNR1A (0.53) MTNR1AMAPTSMN1; SMN2HTR1AKDM4E
SCHEMBL6789138 0.86 MTNR1A (0.54) MTNR1AMAPTHTTHTR1AMEN1
SCHEMBL6794431 0.85 MTNR1A (0.52) MTNR1AMAPTTP53KCNH2CCR2
SCHEMBL6792729 0.84 MTNR1A (0.50) MTNR1AMAPTHTTSMN1; SMN2TP53
SCHEMBL6790119 0.82 MTNR1A (0.53) MTNR1AMAPTHTTSMN1; SMN2POLB
SCHEMBL8432255 0.82 MTNR1A (0.62) MTNR1AMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL6844340 0.82 MTNR1A (0.50) MTNR1AMAPTHTTSMN1; SMN2HTR1A

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 91/4885MAPT 2538/4885HTT 288/4885

“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.