SCHEMBL6789672

SCHEMBL6789672

CN1CCC(n2ccc3cc(Cl)ccc32)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.55
NOS3 P29474 6/20 0.48
NOS1 P29475 6/20 0.48
NOS2 P35228 4/20 0.48
DRD2 P14416 1/20 0.46
SLC6A4 P31645 1/20 0.46
HTR1A P08908 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
HTR1F P30939 1/20 0.43
HRH4 Q9H3N8 3/20 0.41
HRH3 Q9Y5N1 2/20 0.41
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
OPRL1 P41146 1/20 0.40
POLB P06746 1/20 0.40
HTR6 P50406 2/20 0.39
HTR7 P34969 2/20 0.39
HTR2A P28223 2/20 0.39

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
SCHEMBL31434262 0.84 SCD (0.46) SCDNOS3NOS1NOS2DRD2
SCHEMBL25424302 0.84 SCD (0.46) SCDNOS3NOS1NOS2DRD2
SCHEMBL27465898 0.84 SCD (0.43) SCDNOS3NOS1NOS2DRD2
SCHEMBL26408392 0.83 NOS3 (0.49) SCDNOS3NOS1NOS2DRD2
SCHEMBL8111320 0.82 SCD (0.47) SCDNOS3NOS1NOS2DRD2
SCHEMBL2266494 0.82 PRKCI (0.51) SCDNOS3NOS1NOS2DRD2
SCHEMBL27544242 0.82 NOS3 (0.51) SCDNOS3NOS1NOS2DRD2
SCHEMBL30594683 0.82 PRKCI (0.51) SCDNOS3NOS1NOS2DRD2
SCHEMBL6589098 0.82 HTR1A (0.54) SCDNOS3NOS1NOS2DRD2
SCHEMBL2264672 0.82 NOS3 (0.48) SCDNOS3NOS1NOS2DRD2

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 SCD 1932/4885NOS3 3916/4885NOS1 3786/4885

“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.