SCHEMBL3851697

SCHEMBL3851697

CC[CH]c1ccc(C(F)(F)F)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.50
KCNH2 Q12809 2/20 0.37
PSEN1 P49768 2/20 0.36
PSEN2 P49810 2/20 0.36
APH1B Q8WW43 2/20 0.36
NCSTN Q92542 2/20 0.36
APH1A Q96BI3 2/20 0.36
PSENEN Q9NZ42 2/20 0.36
TRPV1 Q8NER1 1/20 0.36
DAO P14920 2/20 0.35
TRPV3 Q8NET8 5/20 0.34
PIK3CA P42336 2/20 0.34
MAP4K4 O95819 1/20 0.34
MINK1 Q8N4C8 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
TKT P29401 1/20 0.34
MTOR P42345 2/20 0.33
KDM1A O60341 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 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
SCHEMBL336320 0.82 TRPV4 (0.52) TRPV4KCNH2TRPV1DAOPIK3CA
SCHEMBL3686975 0.82 TRPV4 (0.52) TRPV4KCNH2TRPV1DAOTRPV3
SCHEMBL29417132 0.82 TRPV4 (0.52) TRPV4KCNH2TRPV1DAOPIK3CA
SCHEMBL27774169 0.79 TRPV4 (0.46) TRPV4KCNH2TRPV1DAOTRPV3
SCHEMBL7992493 0.78 TRPV4 (0.52) TRPV4KCNH2TRPV1DAOPIK3CA
Hydrochloric Acid SCHEMBL28558707 0.78 TRPV4 (0.52) TRPV4KCNH2TRPV1DAOPIK3CA
SCHEMBL122387 0.78 TRPV4 (0.52) TRPV4KCNH2TRPV1DAOTRPV3
SCHEMBL1146016 0.77 TRPV4 (0.47) TRPV4KCNH2PSEN1PSEN2APH1B
SCHEMBL13365250 0.77 TRPV4 (0.47) TRPV4KCNH2TRPV1DAOTRPV3
SCHEMBL1145546 0.77 TRPV4 (0.47) TRPV4KCNH2TRPV1DAOTRPV3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104169281-A Fused pyrroledicarboxamides and their use as pharmaceuticals SANOFI SA 2014-11-26 CN claimed
CN-104169281-A Fused pyrroledicarboxamides and their use as pharmaceuticals SANOFI SA 2014-11-26 CN disclosed
US-8288371-B2 Ortho pyrrolidine, benzyl-substituted heterocycle CCR1 antagonists for autoimmune diseases and inflammation PHARMACOPEIA, LLC (US) 2012-10-16 US disclosed
WO-2009082526-A2 ORTHO PYRROLIDINE, BENZYL-SUBSTITUTED HETEROCYCLE CCR1 ANTAGONISTS FOR AUTOIMMUNE DISEASES & INFLAMMATION PHARMACOPEIA, INC. (US) 2009-07-02 WO disclosed
US-20090093472-A1 ORTHO PYRROLIDINE, BENZYL-SUBSTITUTED HETEROCYCLE CCR1 ANTAGONISTS FOR AUTOIMMUNE DISEASES & INFLAMMATION PHARMACOPEIA, INC. (US) 2009-04-09 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 (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-20090093472-A1 ORTHO PYRROLIDINE, BENZYL-SUBSTITUTED HETEROCYCLE CCR1 ANTAGONISTS FOR AUTOIMMUNE DISEASES & INFLAMMATION CCR1, CCR4, CCR3 TRPV4 230/4885KCNH2 1755/4885PSEN1 3121/4885

“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.