SCHEMBL6794641

SCHEMBL6794641

CNC(=O)Nc1ccc2c(c1)C(CN1CCN(c3ccc4c(c3)OCO4)CC1)CC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.46
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
MAPT P10636 8/20 0.44
TP53 P04637 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
EPHX2 P34913 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 2/20 0.41
KDM4E B2RXH2 3/20 0.41
HTT P42858 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 2/20 0.41
PKM P14618 1/20 0.41
RECQL P46063 1/20 0.41
THRB P10828 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL6792729 0.91 MTNR1A (0.50) SMN1; SMN2NPC1RAB9AMAPTTP53
SCHEMBL6977453 0.79 DRD2 (0.47) SMN1; SMN2NPC1RAB9AMAPTMEN1
SCHEMBL6801822 0.79 DRD2 (0.47) SMN1; SMN2NPC1RAB9AMAPTMEN1
SCHEMBL6795325 0.78 MTNR1A (0.49) SMN1; SMN2NPC1RAB9AMAPTTP53
SCHEMBL6960133 0.77 DRD2 (0.58) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL6794950 0.75 MTNR1A (0.53) SMN1; SMN2RAB9AMAPTTP53L3MBTL1
SCHEMBL6789138 0.74 MTNR1A (0.54) MAPTL3MBTL1MEN1KMT2AHTT
SCHEMBL6795987 0.74 MTNR1A (0.54) SMN1; SMN2MAPTTP53MEN1KMT2A
SCHEMBL6795436 0.74 MTNR1A (0.42) NPC1RAB9AMAPTRECQLDRD2
SCHEMBL6794807 0.73 MAPT (0.55) MAPTMEN1KMT2APOLBKDM4E

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 SMN1; SMN2 1956/4885NPC1 1187/4885RAB9A 2332/4885

“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.