SCHEMBL1763801

SCHEMBL1763801

N#Cc1ccc(C(=O)N2CCC(c3ccc(C(=O)NC(=N)NC(=O)OCc4ccccc4)cc3C(F)(F)F)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 15/20 0.55
CYP2C9 P11712 9/20 0.55
CYP2C19 P33261 8/20 0.55
CYP3A4 P08684 6/20 0.55
KCNH2 Q12809 1/20 0.55
CYP2D6 P10635 4/20 0.45
RBP4 P02753 5/20 0.43
OPRK1 P41145 1/20 0.43

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
SCHEMBL1763934 0.93 SLC9A1 (0.54) SLC9A1CYP2C9CYP2C19CYP3A4KCNH2
SCHEMBL1763563 0.92 SLC9A1 (0.51) SLC9A1CYP2C9CYP2C19CYP3A4KCNH2
SCHEMBL1762989 0.91 SLC9A1 (0.49) SLC9A1CYP2C9CYP2C19CYP3A4KCNH2
SCHEMBL1763910 0.88 SLC9A1 (0.47) SLC9A1CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL1763560 0.87 SLC9A1 (0.55) SLC9A1CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL1764257 0.87 SLC9A1 (0.47) SLC9A1CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL1763651 0.86 SLC9A1 (0.46) SLC9A1CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL1763706 0.86 RBP4 (0.56) SLC9A1CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL1763596 0.85 SLC9A1 (0.57) SLC9A1CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL1764069 0.81 SLC9A1 (0.50) SLC9A1CYP2C9CYP2C19CYP3A4RBP4

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 1 patent. 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

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 2/4885CYP2C9 1660/4885CYP2C19 917/4885

“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.