SCHEMBL1764034

SCHEMBL1764034

N=C(N)NC(=O)c1ccc(C2CCNCC2)c(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 17/20 0.46
HTR2C P28335 2/20 0.46
ADRA1D P25100 2/20 0.46
SLC6A3 Q01959 2/20 0.46
HTR2A P28223 1/20 0.44
SLC9A2 Q9UBY0 1/20 0.44
CYP2C9 P11712 10/20 0.43
CYP2C19 P33261 8/20 0.43
CYP3A4 P08684 7/20 0.43
CYP2D6 P10635 3/20 0.43
KCNH2 Q12809 2/20 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
SCHEMBL1763177 0.89 SLC9A1 (0.61) SLC9A1ADRA1DSLC6A3HTR2ASLC9A2
Hydrochloric Acid SCHEMBL8506226 0.88 SLC9A1 (0.48) SLC9A1ADRA1DSLC6A3HTR2ASLC9A2
SCHEMBL1763531 0.85 SLC9A1 (0.56) SLC9A1ADRA1DSLC6A3HTR2ASLC9A2
SCHEMBL1763318 0.84 SLC9A1 (0.56) SLC9A1ADRA1DSLC6A3HTR2ASLC9A2
Bi 9627 SCHEMBL1763527 0.82 SLC9A1 (0.67) SLC9A1ADRA1DSLC6A3HTR2ASLC9A2
SCHEMBL1763402 0.81 SLC9A1 (0.68) SLC9A1ADRA1DSLC6A3HTR2ASLC9A2
SCHEMBL1763822 0.81 SLC6A3 (0.42) SLC9A1HTR2CADRA1DSLC6A3HTR2A
SCHEMBL1763681 0.81 SLC9A1 (0.57) SLC9A1ADRA1DSLC6A3HTR2ASLC9A2
SCHEMBL1763564 0.81 SLC9A1 (0.68) SLC9A1ADRA1DSLC6A3HTR2ASLC9A2
SCHEMBL1763080 0.81 SLC9A1 (0.68) SLC9A1ADRA1DSLC6A3HTR2ASLC9A2

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 3 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
EP-2321274-A1 PYRROLIDINYL AND PIPERIDINYL COMPOUNDS USEFUL AS NHE-1 INHIBITORS Boehringer Ingelheim International GmbH (DE) 2011-05-18 EP 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 2/4885HTR2C 983/4885ADRA1D 1467/4885

“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.