SCHEMBL6908679

SCHEMBL6908679

CS(=O)(=O)Nc1ccc2c(c1)C(CN1CCC(c3ccc(Cl)cc3)CC1)CC2

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.43
MCHR1 Q99705 10/20 0.43
DRD2 P14416 3/20 0.43
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
DRD1 P21728 1/20 0.39
DRD5 P21918 1/20 0.39
SLC2A1 P11166 1/20 0.39
JAK2 O60674 1/20 0.38
PTK2 Q05397 1/20 0.38
KCNH2 Q12809 1/20 0.38
KIF11 P52732 1/20 0.38

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
SCHEMBL6908678 1.00 BRD4 (0.43) BRD4MCHR1DRD2SLC6A2SLC6A4
SCHEMBL6799809 0.90 CCR5 (0.41) MCHR1SLC6A2SLC6A4SLC6A3JAK2
SCHEMBL5584666 0.77 MCHR1 (0.39) MCHR1DRD2DRD3DRD1DRD5
SCHEMBL6794918 0.76 MTNR1A (0.54) MCHR1DRD2DRD4DRD3
SCHEMBL6795602 0.75 JAK2 (0.38) MCHR1DRD2DRD3DRD1DRD5
SCHEMBL6794431 0.75 MTNR1A (0.52) MCHR1DRD2KCNH2
SCHEMBL6793747 0.75 MTNR1A (0.53) MCHR1DRD2DRD4DRD3
SCHEMBL6789667 0.75 MTNR1A (0.53) MCHR1KCNH2
SCHEMBL6795946 0.75 MTNR1A (0.53) MCHR1DRD2DRD4DRD3KCNH2
SCHEMBL6795440 0.74 MCHR1 (0.37) MCHR1DRD2DRD3JAK2PTK2

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 BRD4 1083/4885MCHR1 92/4885DRD2 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.