SCHEMBL2397716

SCHEMBL2397716

CC[C@H](N)c1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.44
AKR1C3 P42330 4/20 0.39
AKR1C2 P52895 4/20 0.39
AKR1B10 O60218 2/20 0.39
AKR1C4 P17516 2/20 0.39
AKR1C1 Q04828 2/20 0.39
MPL P40238 3/20 0.36
AR P10275 4/20 0.36
AKT1 P31749 2/20 0.36
CXCR2 P25025 1/20 0.36
EPHX1 P07099 1/20 0.36
PDE2A O00408 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35

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
SCHEMBL15157757 1.00 SLC6A4 (0.44) SLC6A4AKR1C3AKR1C2AKR1B10AKR1C4
SCHEMBL297430 1.00 SLC6A4 (0.44) SLC6A4AKR1C3AKR1C2AKR1B10AKR1C4
SCHEMBL2399594 0.87 CTSS (0.36) SLC6A4AKR1C3AKR1C2AKR1B10AKR1C4
SCHEMBL15157447 0.86 KIF11 (0.42) SLC6A4PDE2A
SCHEMBL4020708 0.86 KIF11 (0.42) SLC6A4PDE2A
SCHEMBL15157706 0.86 KIF11 (0.42) SLC6A4PDE2A
SCHEMBL16464215 0.83 TRPV3 (0.40) MPLARAKT1EPHX1PDE2A
SCHEMBL8511924 0.83 TRPV3 (0.40) MPLARAKT1EPHX1PDE2A
SCHEMBL14980642 0.83 ANPEP (0.39) SLC6A4MPLARAKT1EPHX1
SCHEMBL8511925 0.83 TRPV3 (0.40) MPLARAKT1EPHX1PDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9884860-B2 Fused pyrroledicarboxamides and their use as pharmaceuticals SANOFI (FR) 2018-02-06 US disclosed
US-9884860-B2 Fused pyrroledicarboxamides and their use as pharmaceuticals SANOFI (FR) 2018-02-06 US disclosed
US-9884860-B2 Fused pyrroledicarboxamides and their use as pharmaceuticals SANOFI (FR) 2018-02-06 US disclosed
EP-2809669-B1 FUSED PYRROLEDICARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2017-02-01 EP disclosed
EP-2809669-B1 FUSED PYRROLEDICARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2017-02-01 EP disclosed
US-20160159793-A1 Fused Pyrroledicarboxamides and Their Use as Pharmaceuticals SANOFI (FR) 2016-06-09 US disclosed
US-20160159793-A1 Fused Pyrroledicarboxamides and Their Use as Pharmaceuticals SANOFI (FR) 2016-06-09 US disclosed
US-20160159793-A1 Fused Pyrroledicarboxamides and Their Use as Pharmaceuticals SANOFI (FR) 2016-06-09 US disclosed
US-9284333-B2 Fused pyrroledicarboxamides and their use as pharmaceuticals SANOFI (FR) 2016-03-15 US disclosed
US-9284333-B2 Fused pyrroledicarboxamides and their use as pharmaceuticals SANOFI (FR) 2016-03-15 US disclosed
EP-2809669-A1 FUSED PYRROLEDICARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2014-12-10 EP disclosed
WO-2013113860-A1 FUSED PYRROLEDICARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2013-08-08 WO disclosed
WO-2013113860-A1 FUSED PYRROLEDICARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2013-08-08 WO disclosed
EP-2297112-B1 PYRAZOLE COMPOUNDS AS CCR1 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2013-04-03 EP disclosed
US-8293917-B2 Pyrazole compounds as CCR1 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-23 US disclosed
US-20110230521-A1 Pyrazole Compounds As CCR1 Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-22 US 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 (2 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-20110230521-A1 Pyrazole Compounds As CCR1 Antagonists CCR1, CCR3, CCR4 SLC6A4 4748/4885AKR1C3 505/4885AKR1C2 1544/4885
US-20160159793-A1 Fused Pyrroledicarboxamides and Their Use as Pharmaceuticals KCNA1, KCNE1, KCNH1 SLC6A4 2077/4885AKR1C3 1895/4885AKR1C2 1535/4885

“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.