SCHEMBL1763403

SCHEMBL1763403

Cc1cc(C2CCN(C(=O)c3ccc(C#N)cc3)CC2)c(S(C)(=O)=O)cc1C(=O)NC(=N)N

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FASN P49327 17/20 0.50
SLC9A1 P19634 3/20 0.49
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KCNH2 Q12809 1/20 0.45

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
SCHEMBL1763618 0.92 SLC9A1 (0.48) FASNSLC9A1CYP3A4CYP2C9CYP2C19
SCHEMBL7987294 0.89 SLC9A1 (0.52) FASNSLC9A1CYP3A4
SCHEMBL12593461 0.89 FASN (0.55) FASNSLC9A1CYP3A4CYP2C9CYP2C19
SCHEMBL1763664 0.89 SLC9A1 (0.51) SLC9A1CYP3A4CYP2C9CYP2C19
SCHEMBL12648190 0.88 FASN (0.53) FASNSLC9A1CYP3A4CYP2C9CYP2C19
SCHEMBL7995334 0.84 SLC9A1 (0.49) FASNSLC9A1CYP3A4
SCHEMBL1763573 0.84 SLC9A1 (0.59) FASNSLC9A1CYP3A4CYP2C9CYP2C19
SCHEMBL1763568 0.83 SLC9A1 (0.68) FASNSLC9A1KCNH2
SCHEMBL12593491 0.82 SLC9A1 (0.50) FASNSLC9A1CYP3A4CYP2C9
SCHEMBL1763268 0.82 RBP4 (0.51) SLC9A1CYP3A4

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 3 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

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 FASN 2018/4885SLC9A1 2/4885CYP3A4 3075/4885

“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.