SCHEMBL1763572

SCHEMBL1763572

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

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 3/20 0.67
SLC9A1 P19634 12/20 0.52
CYP2C9 P11712 5/20 0.50
CYP2C19 P33261 5/20 0.50
ALDH1A1 P00352 2/20 0.50
KMT2A Q03164 1/20 0.50
CYP3A4 P08684 3/20 0.48
KCNH2 Q12809 1/20 0.48
CYP2D6 P10635 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
TSHR P16473 1/20 0.47

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
SCHEMBL1763271 0.88 RBP4 (0.72) RBP4SLC9A1CYP2C9CYP2C19ALDH1A1
SCHEMBL1763378 0.83 RBP4 (0.63) RBP4SLC9A1CYP2C9CYP2C19CYP3A4
SCHEMBL1763555 0.82 SLC9A1 (0.67) RBP4SLC9A1CYP2C9CYP2C19CYP3A4
SCHEMBL7971257 0.82 ALDH1A1 (0.59) RBP4ALDH1A1KMT2ATSHR
SCHEMBL16689584 0.81 RBP4 (1.00) RBP4TSHR
SCHEMBL27195841 0.80 RBP4 (0.62) RBP4SLC9A1CYP2C9CYP2C19CYP3A4
SCHEMBL1764080 0.80 RBP4 (0.61) RBP4SLC9A1CYP2C9CYP2C19CYP3A4
SCHEMBL3902326 0.79 RBP4 (0.60) RBP4SLC9A1CYP2C9CYP2C19CYP3A4
SCHEMBL1763753 0.79 RBP4 (0.61) RBP4SLC9A1CYP2C9CYP2C19CYP3A4
SCHEMBL16689596 0.79 RBP4 (1.00) RBP4SLC9A1CYP2C9CYP2C19

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.