SCHEMBL3970684

SCHEMBL3970684

Fc1ccc(F)c(CC2CCNCC2)c1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 9/20 0.61
GBA1 P04062 1/20 0.44
MAPK1 P28482 1/20 0.42
SLC6A2 P23975 4/20 0.42
SLC6A3 Q01959 1/20 0.42
CCNT1 O60563 1/20 0.41
CDK9 P50750 1/20 0.41
BRD3 Q15059 2/20 0.40
KDM1A O60341 1/20 0.39

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
SCHEMBL1322888 0.86 SLC6A4 (0.61) SLC6A4GBA1MAPK1SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL4772849 0.85 SLC6A4 (0.60) SLC6A4GBA1MAPK1SLC6A2SLC6A3
SCHEMBL6383641 0.83 SLC6A4 (0.58) SLC6A4GBA1MAPK1SLC6A2BRD3
SCHEMBL6858425 0.83 SLC6A4 (0.58) SLC6A4GBA1MAPK1SLC6A2SLC6A3
SCHEMBL21005951 0.82 SLC6A4 (0.42) SLC6A4MAPK1SLC6A2SLC6A3KDM1A
SCHEMBL16191214 0.82 SLC6A4 (0.45) SLC6A4MAPK1
SCHEMBL1782150 0.81 SLC6A4 (0.47) SLC6A4GBA1MAPK1SLC6A2SLC6A3
SCHEMBL8019802 0.80 SLC6A4 (0.58) SLC6A4GBA1MAPK1SLC6A2SLC6A3
SCHEMBL21788553 0.80 SLC6A4 (0.58) SLC6A4GBA1MAPK1SLC6A2SLC6A3
SCHEMBL8634189 0.80 SLC6A4 (0.56) SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2006271-A9 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2009-07-29 EP claimed
US-20090054401-A1 Substituted bicyclic derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-02-26 US claimed
EP-2006271-A2 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2008-12-24 EP claimed
EP-2006271-A9 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2009-07-29 EP disclosed
US-20090054401-A1 Substituted bicyclic derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-02-26 US disclosed
EP-2006271-A2 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2008-12-24 EP disclosed
US-5595993-A Antischemic piperazinyl- and piperidinyl-cyclohexanes BRISTOL-MYERS SQUIBB COMPANY (US) 1997-01-21 US disclosed
EP-0546583-B1 Piperazinyl-and piperidinyl-cyclohexanols BRISTOL MYERS SQUIBB CO (US) 1996-05-22 EP disclosed
US-5478828-A Anxiolytic agents BRISTOL-MYERS SQUIBB COMPANY (US) 1995-12-26 US disclosed
US-5387593-A Anxiolytic agents BRISTON-MYERS SQUIBB (US) 1995-02-07 US disclosed
US-5352678-A Dopaminergic agents BRISTOL-MYERS SQUIBB CO. (US) 1994-10-04 US disclosed
EP-0546583-A1 Piperazinyl-and piperidinyl-cyclohexanols Bristol-Myers Squibb Company (US) 1993-06-16 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-20090054401-A1 Substituted bicyclic derivatives and use thereof LTB4R2, LTC4S, LTB4R SLC6A4 2513/4885GBA1 2652/4885MAPK1 791/4885

“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.