SCHEMBL6792706

SCHEMBL6792706

CC(=O)Nc1ccc2c(c1)C(CN1CCC(c3ccsc3Cl)CC1)CC2

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.51
HTR1A P08908 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
HTR1F P30939 1/20 0.40
MCHR1 Q99705 4/20 0.37
DRD2 P14416 1/20 0.37
BRD4 O60885 1/20 0.35
KCNH2 Q12809 1/20 0.35
MCHR2 Q969V1 1/20 0.35
NQO2 P16083 3/20 0.35
MTNR1B P49286 3/20 0.35
KDM2B Q8NHM5 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
DRD4 P21917 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
SCHEMBL6844340 0.86 MTNR1A (0.50) MTNR1AHTR1AMCHR1DRD2BRD4
SCHEMBL6796378 0.85 MTNR1A (0.51) MTNR1AHTR1AHTR1DHTR1BHTR1F
SCHEMBL6796568 0.85 MTNR1A (0.53) MTNR1AHTR1AHTR1DHTR1BHTR1F
SCHEMBL6795296 0.82 MTNR1A (0.46) MTNR1AHTR1AHTR1DHTR1BHTR1F
SCHEMBL6795749 0.82 MTNR1A (0.46) MTNR1AHTR1AHTR1DHTR1BHTR1F
SCHEMBL6794431 0.82 MTNR1A (0.52) MTNR1AMCHR1DRD2KCNH2
SCHEMBL6802395 0.82 MTNR1A (0.52) MTNR1AHTR1AHTR1DHTR1BHTR1F
SCHEMBL6793833 0.81 MTNR1A (0.53) MTNR1AHTR1AHTR1DHTR1BHTR1F
SCHEMBL8432255 0.81 MTNR1A (0.62) MTNR1ANQO2MTNR1BKDM2B
SCHEMBL6794918 0.81 MTNR1A (0.54) MTNR1AMCHR1DRD2DRD4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 91/4885HTR1A 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.