SCHEMBL6864670

SCHEMBL6864670

CC(=O)N[C@H]1CCN(c2ccc(C(F)(F)F)cn2)C1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.68
TRPV1 Q8NER1 8/20 0.65
TRPM8 Q7Z2W7 1/20 0.65
CA12 O43570 10/20 0.63
CA1 P00915 10/20 0.63
CA2 P00918 10/20 0.63
CA4 P22748 10/20 0.63
CA7 P43166 10/20 0.63
CA9 Q16790 10/20 0.63
MEN1 O00255 2/20 0.60
SYK P43405 1/20 0.60
ALDH1A1 P00352 1/20 0.60
KDM4E B2RXH2 2/20 0.59
MAPT P10636 1/20 0.59
ABL1 P00519 1/20 0.58
LMNA P02545 1/20 0.58
HSD11B1 P28845 1/20 0.56
S100A4 P26447 1/20 0.55

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
SCHEMBL6576549 1.00 KMT2A (0.68) KMT2ATRPV1TRPM8CA12CA1
SCHEMBL14349620 0.89 KMT2A (0.55) KMT2ATRPV1TRPM8CA12CA1
SCHEMBL5575433 0.89 TRPV1 (0.66) KMT2ATRPV1TRPM8CA12CA1
SCHEMBL6430735 0.88 CA12 (0.66) KMT2ATRPV1TRPM8CA12CA1
SCHEMBL3263316 0.88 CA12 (0.66) KMT2ATRPV1TRPM8CA12CA1
SCHEMBL1351078 0.85 SYK (0.63) KMT2ATRPV1TRPM8CA12CA1
SCHEMBL1351080 0.85 SYK (0.63) KMT2ATRPV1TRPM8CA12CA1
SCHEMBL13211953 0.84 TRPV1 (0.56) KMT2ATRPV1TRPM8CA12CA1
SCHEMBL13103496 0.83 SYK (0.54) KMT2ATRPV1TRPM8CA12CA1
SCHEMBL14376032 0.83 SYK (0.54) KMT2ATRPV1TRPM8CA12CA1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1404338-A1 ADENOSINE ANALOGUES FOR THE TREATMENT OF THE INSULIN RESISTANCE SYNDROME AND DIABETES Aventis Pharma Deutschland GmbH (DE) 2004-04-07 EP disclosed
US-20030176390-A1 Methods of treating insulin resistance syndrome and diabetes HERLING ANDREAS (DE) 2003-09-18 US disclosed
EP-0912520-B1 COMPOUNDS HAVING ANTIHYPERTENSIVE, CARDIOPROTECTIVE, ANTI-ISCHEMIC AND ANTILIPOLYTIC PROPERTIES AVENTIS PHARM PROD INC (US) 2003-05-07 EP disclosed
US-6559313-B2 Adenosine derivatives such as (1S,2R,3S,4R)-2,3-dihydroxy-4-(6-(1-(4-trifluormethylpyridin-2-yl)pyrrolidin-3(S)-yl-amino)purin-9-yl)cyclopentanecarboxylic acid isopropylamide AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-05-06 US disclosed
WO-2002092093-A1 ADENOSINE ANALOGUES FOR THE TREATMENT OF THE INSULIN RESISTANCE SYNDROME AND DIABETES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-11-21 WO disclosed
EP-1258247-A1 Adenosine analogues for the treatment of insulin resistance syndrome and diabetes Aventis Pharma Deutschland GmbH (DE) 2002-11-20 EP disclosed
US-20020099030-A1 Compounds having antihypertensive, cardioprotective anti-ischemic and antilipolytic properties AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-07-25 US disclosed
US-6376472-B1 N6-SUBSTITUTED ADENOSINES AVENTIS PHARMACEUTICALS, INC. 2002-04-23 US disclosed
WO-2000023447-A1 ADENOSINE ANALOGUES HAVING ANTIHYPERTENSIVE, CARDIOPROTECTIVE, ANTI-ISCHEMIC ANTILIPOLYTIC PROPERTIES AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-04-27 WO disclosed
EP-0912520-A4 COMPOUNDS HAVING ANTIHYPERTENSIVE, CARDIOPROTECTIVE, ANTI-ISCHEMIC AND ANTILIPOLYTIC PROPERTIES RHONE POULENC RORER PHARMA (US) 1999-10-06 EP disclosed
EP-0912520-A1 COMPOUNDS HAVING ANTIHYPERTENSIVE, CARDIOPROTECTIVE, ANTI-ISCHEMIC AND ANTILIPOLYTIC PROPERTIES RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1999-05-06 EP disclosed
WO-1998001426-A1 COMPOUNDS HAVING ANTIHYPERTENSIVE, CARDIOPROTECTIVE, ANTI-ISCHEMIC AND ANTILIPOLYTIC PROPERTIES RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-01-15 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 (2 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-20030176390-A1 Methods of treating insulin resistance syndrome and diabetes IAPP, GPR119, INSR KMT2A 3621/4885TRPV1 1854/4885TRPM8 2532/4885
US-20020099030-A1 Compounds having antihypertensive, cardioprotective anti-ischemic and antilipolytic properties HMGCR, TGFB1, APOB KMT2A 2439/4885TRPV1 1305/4885TRPM8 987/4885

“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.