SCHEMBL1763271

SCHEMBL1763271

O=C(O)c1ccc(C2CCN(C(=O)c3ccco3)CC2)c(C(F)(F)F)c1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 2/20 0.72
SLC9A1 P19634 14/20 0.56
CYP2C9 P11712 6/20 0.56
CYP2C19 P33261 5/20 0.56
CYP2D6 P10635 3/20 0.52
CYP3A4 P08684 2/20 0.52
RAB9A P51151 1/20 0.51
TSHR P16473 2/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ADRA1D P25100 1/20 0.48
HTR2A P28223 1/20 0.48
SLC6A3 Q01959 1/20 0.48
SLC9A2 Q9UBY0 1/20 0.48

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
SCHEMBL1763572 0.88 RBP4 (0.67) RBP4SLC9A1CYP2C9CYP2C19CYP2D6
SCHEMBL1763378 0.85 RBP4 (0.63) RBP4SLC9A1CYP2C9CYP2C19CYP2D6
SCHEMBL16689584 0.84 RBP4 (1.00) RBP4RAB9ATSHR
SCHEMBL1763706 0.80 RBP4 (0.56) RBP4SLC9A1CYP2C9CYP2C19CYP2D6
SCHEMBL1763299 0.79 RBP4 (0.56) RBP4SLC9A1CYP2C9CYP2C19CYP2D6
SCHEMBL1763569 0.79 RBP4 (0.56) RBP4SLC9A1CYP2C9CYP2C19CYP2D6
SCHEMBL1763676 0.79 RBP4 (0.56) RBP4SLC9A1CYP2C9CYP2C19CYP2D6
SCHEMBL1763180 0.78 SMN1; SMN2 (0.53) RBP4SLC9A1CYP2C9CYP2C19CYP2D6
SCHEMBL31188362 0.77 SLC9A1 (0.50) RBP4SLC9A1CYP2C9CYP2C19CYP2D6
SCHEMBL27195840 0.77 SLC9A1 (0.55) SLC9A1CYP2C9CYP2C19CYP2D6CYP3A4

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 RBP4 4521/4885SLC9A1 2/4885CYP2C9 1660/4885

“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.