SCHEMBL1763704

SCHEMBL1763704

COCC(=O)N1CCC(c2cc(C)c(C(=O)NC(=N)N)cc2S(C)(=O)=O)CC1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 5/20 0.56
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CCR8 P51685 1/20 0.39
SOS1 Q07889 5/20 0.38
THRB P10828 2/20 0.36
THRA P10827 1/20 0.35
VDR P11473 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
FASN P49327 1/20 0.34

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
SCHEMBL1763716 0.90 SLC9A1 (0.69) SLC9A1CYP2C9CYP2C19CCR8THRB
SCHEMBL12593251 0.88 SLC9A1 (0.46) SLC9A1CYP2C9CYP2C19CCR8SOS1
SCHEMBL1763568 0.86 SLC9A1 (0.68) SLC9A1FASN
SCHEMBL1763532 0.86 SLC9A1 (0.55) SLC9A1CYP2C9CYP2C19THRBTHRA
SCHEMBL7987294 0.81 SLC9A1 (0.52) SLC9A1KMT2AFASN
SCHEMBL1763664 0.81 SLC9A1 (0.51) SLC9A1CYP2C9CYP2C19KMT2A
SCHEMBL12593546 0.80 SLC9A1 (0.42) SLC9A1CYP2C9CYP2C19SOS1KMT2A
SCHEMBL12593226 0.80 SLC9A1 (0.52) SLC9A1CYP2C9CYP2C19SOS1POLB
SCHEMBL7995334 0.79 SLC9A1 (0.49) SLC9A1KMT2AFASN
SCHEMBL1763403 0.79 FASN (0.50) SLC9A1CYP2C9CYP2C19FASN

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 2/4885CYP2C9 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.