SCHEMBL6789170

SCHEMBL6789170

CNC(=O)Nc1ccc2c(c1)C(CN1CCC(n3ccc4cc(Cl)ccc43)CC1)CC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.38
HTR1A P08908 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
HTR1F P30939 1/20 0.37
TRPV1 Q8NER1 3/20 0.35
SCD O00767 1/20 0.35
HTR2A P28223 2/20 0.34
HTR7 P34969 2/20 0.34
KCNH2 Q12809 1/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
OPRM1 P35372 2/20 0.34
OPRD1 P41143 2/20 0.34
OPRK1 P41145 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 2/20 0.34
CHRNA7 P36544 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 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
SCHEMBL6796379 0.92 MTNR1A (0.47) MTNR1AHTR1AHTR1DHTR1BHTR1F
SCHEMBL6795902 0.85 MTNR1A (0.47) MTNR1AHTR1AHTR1DHTR1BHTR1F
SCHEMBL6796534 0.80 SCD (0.38) SCDHTR2AHTR7KCNH2DRD2
SCHEMBL27481026 0.79 HTR1A (0.45) HTR1AHTR1DHTR1BHTR1FTRPV1
SCHEMBL6907469 0.76 HTR1D (0.51) HTR1AHTR1DHTR1BHTR1FDRD2
SCHEMBL6795436 0.73 MTNR1A (0.42) MTNR1AHTR1DHTR1BTRPV1DRD2
SCHEMBL6796471 0.71 MTNR1A (0.46) MTNR1A
SCHEMBL6795987 0.70 MTNR1A (0.54) MTNR1AHTR1ADRD2ALDH1A1HTT
SCHEMBL6910708 0.70 HTR1D (0.47) HTR1AHTR1DHTR7DRD2OPRM1
SCHEMBL6795207 0.69 MTNR1A (0.47) MTNR1AHTR1AHTR1DHTR1BHTR1F

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 MTNR1A 91/4885HTR1A 18/4885HTR1D 4/4885

“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.