SCHEMBL1763741

SCHEMBL1763741

N=C(N)NC(=O)c1ccc(C2=CCN(C(=O)c3ccc(-n4ccnc4)cc3)CC2)c(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.49
ADH5 P11766 4/20 0.48
F9 P00740 1/20 0.38
F10 P00742 1/20 0.38
LSS P48449 1/20 0.37
PRLHR P49683 2/20 0.36
JAK2 O60674 2/20 0.36
JAK1 P23458 2/20 0.36
NAMPT P43490 2/20 0.36
TRPV1 Q8NER1 2/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
LIMK1 P53667 1/20 0.35
LIMK2 P53671 1/20 0.35
MAPT P10636 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
SCHEMBL1764089 0.81 SLC9A1 (0.46) SLC9A1JAK1NAMPTCYP2C9
SCHEMBL1764050 0.80 SLC9A1 (0.73) SLC9A1CYP2D6CYP2C9CYP2C19
SCHEMBL1763452 0.80 JAK1 (0.36) SLC9A1JAK1TRPV1CYP2C19LIMK1
SCHEMBL1764093 0.76 CYP2C9 (0.48) SLC9A1JAK1NAMPTTRPV1CYP2D6
SCHEMBL1763592 0.75 SLC9A1 (0.49) SLC9A1NAMPTMAPT
Hydrochloric Acid SCHEMBL7082587 0.75 CYP1A2 (0.46) SLC9A1ADH5F9F10CYP2D6
SCHEMBL7079970 0.74 CYP1A2 (0.47) SLC9A1ADH5F9F10CYP2D6
SCHEMBL1763530 0.73 SLC9A1 (0.64) SLC9A1CYP2D6CYP2C9CYP2C19
SCHEMBL12593566 0.70 NAMPT (0.38) SLC9A1NAMPT
SCHEMBL29802958 0.70 TRPV1 (0.47) 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 SLC9A1 2/4885ADH5 420/4885F9 3822/4885

“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.