SCHEMBL6792978

SCHEMBL6792978

Nc1ccc2c(c1)C(CN1CCN(c3cccc(Cl)c3)CC1)CC2

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.53
ALOX12 P18054 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
KCNH2 Q12809 1/20 0.48
DRD2 P14416 3/20 0.47
DRD4 P21917 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HTR2A P28223 2/20 0.46
HTR2C P28335 1/20 0.46
HRH1 P35367 1/20 0.46
SIGMAR1 Q99720 1/20 0.44
HTR1A P08908 1/20 0.44
HTR7 P34969 1/20 0.44
HTR6 P50406 1/20 0.44

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
SCHEMBL6801840 0.87 DRD2 (0.48) ALDH1A1LMNAMAPTALOX12SMN1; SMN2
SCHEMBL6795583 0.85 MAPT (0.53) LMNAMAPTALOX12SMN1; SMN2DRD2
SCHEMBL6795496 0.83 DRD2 (0.48) ALDH1A1LMNAMAPTSMN1; SMN2DRD2
SCHEMBL6794807 0.80 MAPT (0.55) ALDH1A1LMNAMAPTKCNH2MEN1
SCHEMBL6793757 0.80 MAPT (0.50) ALDH1A1LMNAMAPTSMN1; SMN2DRD2
SCHEMBL6801822 0.78 DRD2 (0.47) ALDH1A1MAPTSMN1; SMN2DRD2DRD4
SCHEMBL8436363 0.78 HTR6 (0.39) ALDH1A1HRH1HTR6
SCHEMBL6796388 0.75 DRD2 (0.67) DRD2DRD4HTR2AHTR2CSIGMAR1
SCHEMBL13648729 0.75 DRD2 (0.64) KCNH2DRD2DRD4HTR2ASIGMAR1
SCHEMBL4636856 0.74 KCNH2 (0.60) KCNH2DRD2DRD4MEN1KMT2A

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 7 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
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

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 ALDH1A1 1059/4885LMNA 4611/4885MAPT 2538/4885

“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.