SCHEMBL1763452

SCHEMBL1763452

N=C(N)NC(=O)c1ccc(C2=CCN(C(=O)c3cnc[nH]3)CC2)c(C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 8/20 0.36
MAPT P10636 1/20 0.35
WDR5 P61964 2/20 0.35
RBP4 P02753 1/20 0.34
SLC9A1 P19634 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
TRPV1 Q8NER1 4/20 0.33
LIMK1 P53667 1/20 0.33
LIMK2 P53671 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
SCHEMBL1763534 0.84 BTK (0.41) MAPTWDR5RBP4
SCHEMBL1763741 0.80 SLC9A1 (0.49) JAK1MAPTSLC9A1CYP2C19TRPV1
SCHEMBL1764089 0.80 SLC9A1 (0.46) JAK1WDR5SLC9A1CYP3A4
SCHEMBL12648314 0.79 SLC9A1 (0.54) SLC9A1CYP3A4CYP2C19
SCHEMBL1764093 0.78 CYP2C9 (0.48) JAK1MAPTSLC9A1CYP3A4CYP2C19
SCHEMBL1763592 0.77 SLC9A1 (0.49) MAPTSLC9A1CYP3A4
SCHEMBL29802958 0.70 TRPV1 (0.47) TRPV1
Hydrochloric Acid SCHEMBL8831932 0.70 BRAF (0.43) TRPV1
SCHEMBL12593566 0.69 NAMPT (0.38) SLC9A1CYP3A4
SCHEMBL24671240 0.69 TMPRSS2 (0.46) TRPV1

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-20110118262-A1 Pyrrolidinyl and Piperidinyl Compounds Useful as NHE-1 Inhibitiors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-19 US disclosed
US-20110118262-A1 Pyrrolidinyl and Piperidinyl Compounds Useful as NHE-1 Inhibitiors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-19 US disclosed
US-20110118262-A1 Pyrrolidinyl and Piperidinyl Compounds Useful as NHE-1 Inhibitiors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-19 US disclosed
WO-2010005783-A1 PYRROLIDINYL AND PIPERIDINYL COMPOUNDS USEFUL AS NHE-1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-14 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-20110118262-A1 Pyrrolidinyl and Piperidinyl Compounds Useful as NHE-1 Inhibitiors NHERF1, SLC9A1, SLC9A5 JAK1 4379/4885MAPT 4665/4885WDR5 4243/4885

“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.