SCHEMBL6795946

SCHEMBL6795946

CC(=O)Nc1ccc2c(c1)C(CN1CCC(c3ccc(N)cc3)CC1)CC2

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.53
SLC18A3 Q16572 1/20 0.43
DRD2 P14416 5/20 0.40
DRD4 P21917 4/20 0.40
DRD3 P35462 3/20 0.40
HTR1A P08908 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
HTR1F P30939 1/20 0.39
MCHR1 Q99705 3/20 0.38
KCNH2 Q12809 1/20 0.38
MCHR2 Q969V1 1/20 0.38
CCR5 P51681 2/20 0.38
NAMPT P43490 1/20 0.37

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
SCHEMBL6794918 0.91 MTNR1A (0.54) MTNR1ASLC18A3DRD2DRD4DRD3
SCHEMBL6789667 0.90 MTNR1A (0.53) MTNR1ASLC18A3HTR1AMCHR1KCNH2
SCHEMBL6793747 0.90 MTNR1A (0.53) MTNR1ASLC18A3DRD2DRD4DRD3
SCHEMBL6795188 0.88 MTNR1A (0.52) MTNR1ASLC18A3DRD2DRD4DRD3
SCHEMBL6794431 0.86 MTNR1A (0.52) MTNR1ASLC18A3DRD2MCHR1KCNH2
SCHEMBL6801874 0.85 MTNR1A (0.51) MTNR1ADRD2MCHR1CCR5
SCHEMBL6802395 0.84 MTNR1A (0.52) MTNR1ASLC18A3DRD2HTR1AHTR1D
SCHEMBL6795325 0.84 MTNR1A (0.49) MTNR1A
SCHEMBL6795986 0.83 DRD4 (0.52) MTNR1ADRD2DRD4MCHR1KCNH2
SCHEMBL8432255 0.83 MTNR1A (0.62) MTNR1A

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 91/4885SLC18A3 810/4885DRD2 7/4885

“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.