SCHEMBL6802020

SCHEMBL6802020

CN1CC=C(n2ccc3cc(Cl)ccc32)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.40
HTR6 P50406 4/20 0.39
CYP3A4 P08684 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
QDPR P09417 1/20 0.35
HTR7 P34969 1/20 0.34
HPGD P15428 1/20 0.34
AHR P35869 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
DRD2 P14416 2/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
DRD1 P21728 1/20 0.34
DRD4 P21917 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL7214489 0.74 DRD2 (0.41) SLC6A4HTR2AHTR2CHTR7DRD2
SCHEMBL8414915 0.74 SCN9A (0.32) QDPR
SCHEMBL27467830 0.69 HTR2A (0.37) SLC6A4HTR6HTR2AHTR2CHPGD
SCHEMBL9272816 0.66 HTR6 (0.44) SLC6A4HTR6HPGDMEN1KMT2A
SCHEMBL1092569 0.66 PRKCI (0.59) HTR2AHTR2C
SCHEMBL4557834 0.64 BIRC5 (0.62) SLC6A4HTR2AHTR2CHPGDMEN1
SCHEMBL6789672 0.64 SCD (0.55) SLC6A4HTR6HTR2AHTR2CHTR7
SCHEMBL7866309 0.63 SLC6A4 (0.47) SLC6A4HTR6QDPRDRD2CHRM1
SCHEMBL10901493 0.63 SLC6A4 (0.47) SLC6A4HTR6QDPRDRD2CHRM1
SCHEMBL25424302 0.63 SCD (0.46) SLC6A4HTR6HTR2AHTR2CHTR7

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 SLC6A4 170/4885HTR6 27/4885CYP3A4 782/4885

“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.