SCHEMBL1763430

SCHEMBL1763430

COC(=O)c1cc(C(F)(F)F)c(OCc2ccccc2)cc1C

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 5/20 0.52
RXRA P19793 3/20 0.50
RXRB P28702 3/20 0.50
RXRG P48443 3/20 0.50
LMNA P02545 2/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HPGD P15428 1/20 0.46
SMPD1 P17405 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
FFAR4 Q5NUL3 3/20 0.44
FFAR1 O14842 1/20 0.44

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
SCHEMBL8014805 0.90 LMNA (0.44) MRGPRX4RXRARXRBRXRGLMNA
SCHEMBL16098900 0.88 MRGPRX4 (0.52) MRGPRX4RXRARXRBRXRGLMNA
SCHEMBL16097621 0.88 LMNA (0.52) MRGPRX4RXRARXRBRXRGLMNA
SCHEMBL7953912 0.87 MRGPRX4 (0.56) MRGPRX4RXRARXRBRXRGLMNA
SCHEMBL24817920 0.84 NPC1 (0.50) MRGPRX4RXRARXRBRXRGLMNA
SCHEMBL8014807 0.83 LMNA (0.44) MRGPRX4RXRARXRBRXRGLMNA
SCHEMBL16096150 0.83 MRGPRX4 (0.47) MRGPRX4RXRARXRBRXRGLMNA
SCHEMBL3901040 0.82 MRGPRX4 (0.60) MRGPRX4RXRARXRBRXRGLMNA
SCHEMBL3901919 0.82 MRGPRX4 (0.69) MRGPRX4RXRARXRBRXRGLMNA
Hydrochloric Acid SCHEMBL7799879 0.81 RXRA (0.44) MRGPRX4RXRARXRBRXRGMAPT

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 6 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
CN-1097579-C Ortho-substituted benzoylguanidines, process for their preparation, their use as medicament, and medicament comprising them HOECHST AG (DE) 2003-01-01 CN disclosed
US-6262123-B1 AS ANTIARRHYTHMIC AGENTS HAVING CARDIOPROTECTIVE COMPONENT, FOR PROPHYLAXIS AND TREATMENT OF INFARCTION AND ANGINA PECTORIS; FOR INHIBITION OF PATHOPHYSIOLOGICAL PROCESSES ASSOCIATED WITH GENESIS OF ISCHEMICALLY INDUCED DAMAGE AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-07-17 US disclosed
CN-1194976-A Ortho-substituted benzoylguanidines, process for their preparation, their use as medicament, and medicament comprising them HOECHST AG (DE) 1998-10-07 CN 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 MRGPRX4 1288/4885RXRA 4265/4885RXRB 4147/4885

“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.