SCHEMBL1764148

SCHEMBL1764148

COc1cc(C2CCN(C(=O)c3ccccn3)CC2)c(C(F)(F)F)cc1C(=O)NC(=N)N

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 3/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
RBP4 P02753 9/20 0.45
SFRP1 Q8N474 1/20 0.44
TRPC6 Q9Y210 2/20 0.41
ABL1 P00519 1/20 0.40
KIT P10721 1/20 0.40
EPHX2 P34913 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
DRD2 P14416 1/20 0.40

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
SCHEMBL12593555 0.88 TRPC6 (0.47) SLC9A1CYP2D6CYP2C9CYP2C19RBP4
SCHEMBL1763399 0.84 SLC9A1 (0.54) SLC9A1CYP2D6CYP2C9CYP2C19RBP4
SCHEMBL1763837 0.84 SLC9A1 (0.50) SLC9A1CYP2D6CYP2C9CYP2C19RBP4
SCHEMBL1763883 0.84 SLC9A1 (0.69) SLC9A1CYP2C9CYP2C19RBP4
SCHEMBL1763246 0.83 SLC9A1 (0.72) SLC9A1CYP2D6CYP2C9CYP2C19SFRP1
SCHEMBL7994436 0.83 SLC9A1 (0.51) SLC9A1CYP2D6CYP2C9CYP2C19RBP4
SCHEMBL1764112 0.82 SLC9A1 (0.51) SLC9A1CYP2D6CYP2C9CYP2C19RBP4
SCHEMBL1763591 0.82 SLC9A1 (0.51) SLC9A1CYP2D6CYP2C9CYP2C19RBP4
SCHEMBL1763588 0.82 SLC9A1 (0.51) SLC9A1CYP2D6CYP2C9CYP2C19RBP4
SCHEMBL1763494 0.81 SLC9A1 (0.51) SLC9A1CYP2D6CYP2C9CYP2C19RBP4

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 2/4885CYP2D6 2007/4885CYP2C9 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.