SCHEMBL6795088

SCHEMBL6795088

NC(=O)C1CCc2ccc(N)cc21

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.39
ATAD2 Q6PL18 1/20 0.39
SIRT1 Q96EB6 3/20 0.38
PIN1 Q13526 3/20 0.36
HTR6 P50406 3/20 0.36
DRD1 P21728 1/20 0.35
ACHE P22303 2/20 0.35
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
CA9 Q16790 1/20 0.34
GRIN2B Q13224 1/20 0.34
HSD11B1 P28845 1/20 0.34
FABP4 P15090 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
SCHEMBL8796023 0.86 FABP4 (0.43) BRD4ATAD2DRD1GRIN2BFABP4
SCHEMBL14916493 0.81 SIRT1 (0.52) SIRT1HTR2A
SCHEMBL2823313 0.81 PIN1 (0.49) SIRT1PIN1HTR2A
SCHEMBL14915975 0.81 SIRT1 (0.47) SIRT1PIN1DRD1ACHEDRD2
SCHEMBL4872494 0.79 BRD4 (0.37) BRD4ATAD2HTR6DRD1ACHE
SCHEMBL2825083 0.78 MTNR1A (0.54)
SCHEMBL29528570 0.77 PIN1 (0.58) SIRT1PIN1
SCHEMBL643577 0.77 PIN1 (0.58) SIRT1PIN1
SCHEMBL2475968 0.77 PIN1 (0.58) SIRT1PIN1
SCHEMBL176930 0.77 PIN1 (0.58) SIRT1PIN1

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 12 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
US-5972964-A FOR TREATMENT OF CERTAIN PSYCHIC AND NEUROLOGIC DISORDERS SUCH AS PSYCHOSIS, ANXIETY DISORDERS, PANIC DISORDER, OBSESSIVE COMPULSIVE DISORDER, DEPRESSION, IMPULSE CONTROL DISORDERS, ALCOHOL ABUSE, AGGRESSION H. LUNDBECK A/S (DK) 1999-10-26 US disclosed
US-5807889-A PSYCHOLOGICAL AND NERVOUS SYSTEM DISORDERS H. LUNDBECK A/S (DK) 1998-09-15 US disclosed
EP-0673360-B1 AMINOMETHYLINDANS, -BENZOFURANES AND -BENZOTHIOPHENES LUNDBECK & CO AS H (DK) 1998-08-26 EP disclosed
EP-0765311-A1 4-ARYL-1-(INDANMETHYL, DIHYDROBENZOFURANMETHYL OR DIHYDROBENZOTHIOPHENEMETHYL)PIPERIDINES, TETRAHYDROPYRIDINES OR PIPERAZINES H. LUNDBECK A/S (DK) 1997-04-02 EP disclosed
WO-1995033721-A1 4-ARYL-1-(INDANMETHYL, DIHYDROBENZOFURANMETHYL OR DIHYDROBENZOTHIOPHENEMETHYL)PIPERIDINES, TETRAHYDROPYRIDINES OR PIPERAZINES H. LUNDBECK A/S (DK) 1995-12-14 WO disclosed
EP-0673360-A1 AMINOMETHYLINDANS, -BENZOFURANES AND -BENZOTHIOPHENES H. LUNDBECK A/S (DK) 1995-09-27 EP disclosed
WO-1994013620-A1 AMINOMETHYLINDANS, -BENZOFURANES AND -BENZOTHIOPHENES H. LUNDBECK A/S (DK) 1994-06-23 WO 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 BRD4 1083/4885ATAD2 1466/4885SIRT1 1108/4885

“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.