SCHEMBL6795602

SCHEMBL6795602

Fc1ccc(Nc2ccc3c(c2)C(CN2CCC(c4ccc(F)cc4)CC2)CC3)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.38
JAK3 P52333 2/20 0.38
PTK2 Q05397 2/20 0.38
HTR1A P08908 4/20 0.37
HTR2A P28223 4/20 0.37
HTR7 P34969 1/20 0.37
HTR6 P50406 1/20 0.37
MCHR1 Q99705 1/20 0.37
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
CCR5 P51681 3/20 0.36
DRD2 P14416 4/20 0.36
DRD3 P35462 3/20 0.36
DRD1 P21728 1/20 0.36
DRD5 P21918 1/20 0.36
NAMPT P43490 2/20 0.36

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
SCHEMBL5584666 0.90 MCHR1 (0.39) JAK2JAK3PTK2HTR1AHTR2A
SCHEMBL6795440 0.87 MCHR1 (0.37) JAK2JAK3PTK2HTR1AHTR2A
SCHEMBL6799809 0.86 CCR5 (0.41) JAK2PTK2HTR7MCHR1ESR1
SCHEMBL6790012 0.86 NPC1 (0.46) MCHR1DRD2DRD3NAMPT
SCHEMBL6795413 0.85 MTNR1A (0.41) MCHR1DRD2DRD3NAMPT
SCHEMBL6789667 0.85 MTNR1A (0.53) HTR1AMCHR1NAMPT
SCHEMBL6796741 0.84 RORC (0.46) MCHR1NAMPT
SCHEMBL6789931 0.84 HTR2A (0.42) HTR1AHTR2AHTR7HTR6MCHR1
SCHEMBL6795436 0.84 MTNR1A (0.42) MCHR1CCR5DRD2DRD3NAMPT
SCHEMBL6792744 0.84 RORC (0.45) MCHR1CCR5NAMPT

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 JAK2 2793/4885JAK3 4291/4885PTK2 3781/4885

“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.