SCHEMBL6796760

SCHEMBL6796760

CC(=O)Nc1ccc2c(c1)C(CN1CCN(c3ccccc3Cl)CC1)CC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.53
CHRM1 P11229 2/20 0.47
CHRM5 P08912 1/20 0.47
CHRM3 P20309 1/20 0.47
DRD2 P14416 4/20 0.45
HTR2A P28223 3/20 0.45
ALDH1A1 P00352 4/20 0.45
GAA P10253 1/20 0.45
KDM4E B2RXH2 2/20 0.44
MAPT P10636 1/20 0.44
MALT1 Q9UDY8 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
CACNA1G O43497 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
DRD3 P35462 1/20 0.42
HTR1A P08908 1/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
HTR2C P28335 1/20 0.42
HTR7 P34969 1/20 0.42

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
SCHEMBL6802263 0.88 DRD2 (0.55) MTNR1ADRD2HTR2AALDH1A1KDM4E
SCHEMBL6794807 0.86 MAPT (0.55) MTNR1AALDH1A1GAAKDM4EMAPT
SCHEMBL6794950 0.86 MTNR1A (0.53) MTNR1AALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL6795987 0.86 MTNR1A (0.54) MTNR1ADRD2ALDH1A1GAAKDM4E
SCHEMBL6844340 0.86 MTNR1A (0.50) MTNR1ACHRM1CHRM5CHRM3DRD2
SCHEMBL6795438 0.83 DRD2 (0.53) MTNR1ADRD2HTR2AALDH1A1KDM4E
SCHEMBL6793364 0.83 MTNR1A (0.53) MTNR1ADRD2HTR2AALDH1A1KDM4E
SCHEMBL8432255 0.82 MTNR1A (0.62) MTNR1AALDH1A1GAAKDM4EMAPT
SCHEMBL6789138 0.82 MTNR1A (0.54) MTNR1AALDH1A1GAAMAPTL3MBTL1
SCHEMBL6789882 0.82 MAPT (0.52) MTNR1AALDH1A1GAAKDM4EMAPT

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 MTNR1A 91/4885CHRM1 150/4885CHRM5 75/4885

“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.