SCHEMBL6796534

SCHEMBL6796534

Nc1ccc2c(c1)C(CN1CCC(n3ccc4cc(Cl)ccc43)CC1)CC2

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.38
DRD2 P14416 2/20 0.35
SLC6A4 P31645 2/20 0.35
HTR2A P28223 4/20 0.35
HTR7 P34969 3/20 0.35
PRMT5 O14744 1/20 0.32
KCNH2 Q12809 1/20 0.32
NOS3 P29474 3/20 0.32
NOS1 P29475 3/20 0.32
NOS2 P35228 3/20 0.32
HRH3 Q9Y5N1 1/20 0.31
HTR2C P28335 1/20 0.31
DGAT1 O75907 2/20 0.30
HTR6 P50406 1/20 0.30

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
SCHEMBL6796379 0.82 MTNR1A (0.47) SCDDRD2HTR2AHTR7KCNH2
SCHEMBL6789170 0.80 MTNR1A (0.38) SCDDRD2HTR2AHTR7KCNH2
SCHEMBL6801840 0.75 DRD2 (0.48) DRD2HTR7
SCHEMBL6795902 0.74 MTNR1A (0.47) SCDDRD2
SCHEMBL27465898 0.74 SCD (0.43) SCDDRD2SLC6A4HTR2AHTR7
SCHEMBL8436363 0.73 HTR6 (0.39) HRH3HTR6
SCHEMBL6792978 0.72 ALDH1A1 (0.53) DRD2HTR2AHTR7KCNH2HTR2C
SCHEMBL6789672 0.71 SCD (0.55) SCDDRD2SLC6A4HTR2AHTR7
SCHEMBL6796369 0.71 OPRM1 (0.46) DRD2SLC6A4
SCHEMBL6796177 0.70 SIGMAR1 (0.41) DRD2HTR7

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 1932/4885DRD2 7/4885SLC6A4 170/4885

“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.