SCHEMBL16099794

SCHEMBL16099794

CCOC(=O)c1cc2n(n1)CCCN(C(=O)CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 4/20 0.35
▸ FAAH O00519 1/20 0.35
▸ GAA P10253 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ MAPT P10636 2/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ATM Q13315 1/20 0.33
▸ FABP4 P15090 1/20 0.33
▸ RHOA P61586 1/20 0.33
▸ CXCR3 P49682 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MC4R P32245 1/20 0.33
▸ ATF1 P18846 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ TACR1 P25103 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33

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
SCHEMBL16094187 0.87 BTK (0.38) BTKGAARAB9AFABP4RHOA
SCHEMBL16129709 0.84 HPGD (0.39) GAAALDH1A1RAB9AMAPTKMT2A
SCHEMBL16100257 0.84 HRH3 (0.36) ALDH1A1KMT2ARHOAMC4RTACR1
SCHEMBL16094402 0.83 TACR1 (0.42) GAAALDH1A1RAB9AMAPTKMT2A
SCHEMBL16093927 0.82 ALDH1A1 (0.38) ALDH1A1KMT2ATACR1KDM4E
SCHEMBL16094151 0.80 TACR1 (0.38) GAAALDH1A1RAB9AMAPTKMT2A
SCHEMBL16100066 0.79 TACR1 (0.38) RAB9AKMT2ATACR1
SCHEMBL16129819 0.79 ENPP2 (0.41) GAAALDH1A1RAB9AMAPTKMT2A
SCHEMBL16099642 0.79 TACR1 (0.39) GAAALDH1A1RAB9AMAPTKMT2A
SCHEMBL16100677 0.78 NPC1 (0.35) FAAHGAAALDH1A1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160039825-A1 S1P AND/OR ATX MODULATING AGENTS BIOGEN MA INC. 2016-02-11 — — US disclosed
EP-2970302-A1 S1P AND/OR ATX MODULATING AGENTS Biogen MA Inc. (US) 2016-01-20 — — EP disclosed
WO-2014152725-A1 S1P AND/OR ATX MODULATING AGENTS BIOGEN IDEC MA INC. (US) 2014-09-25 — — WO disclosed
WO-2014152725-A1 S1P AND/OR ATX MODULATING AGENTS BIOGEN IDEC MA INC. (US) 2014-09-25 — — 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-20160039825-A1 S1P AND/OR ATX MODULATING AGENTS ENPP2, S1PR1, S1PR2 BTK 3491/4885FAAH 306/4885GAA 1772/4885

“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.

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