SCHEMBL6907469

SCHEMBL6907469

CNC(=O)Nc1ccc2c(c1)C(CN1CCC(c3c[nH]c4ccc(Cl)cc34)CC1)CC2

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 17/20 0.51
HTR1B P28222 15/20 0.51
HTR1A P08908 2/20 0.49
HTR1F P30939 2/20 0.49
OPRM1 P35372 1/20 0.48
OPRK1 P41145 1/20 0.48
OPRL1 P41146 1/20 0.48
CCR2 P41597 1/20 0.45
CHRM2 P08172 1/20 0.44
DRD2 P14416 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
SCHEMBL6795501 0.85 HTR1D (0.53) HTR1DHTR1BHTR1AHTR1FCCR2
Oxalic Acid SCHEMBL6801356 0.83 HTR1D (0.51) HTR1DHTR1BHTR1AHTR1FOPRM1
SCHEMBL6796075 0.82 HTR1D (0.60) HTR1DHTR1BHTR1AHTR1FOPRM1
SCHEMBL6910708 0.79 HTR1D (0.47) HTR1DHTR1AOPRM1OPRK1DRD2
Fumaric Acid SCHEMBL7219910 0.78 OPRM1 (0.52) HTR1DHTR1BHTR1AOPRM1OPRK1
Fumaric Acid SCHEMBL7219907 0.78 OPRM1 (0.52) HTR1DHTR1BHTR1AOPRM1OPRK1
SCHEMBL7481586 0.77 HTR1D (0.79) HTR1DHTR1BHTR1AHTR1F
SCHEMBL6789118 0.77 HTR1D (0.56) HTR1DHTR1BHTR1AHTR1FOPRM1
SCHEMBL6795436 0.76 MTNR1A (0.42) HTR1DHTR1BDRD2
SCHEMBL6789170 0.76 MTNR1A (0.38) HTR1DHTR1BHTR1AHTR1FOPRM1

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 HTR1D 4/4885HTR1B 32/4885HTR1A 18/4885

“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.