SCHEMBL5997085

SCHEMBL5997085

FC(F)(F)c1ccccc1C1CC(CCl)=NO1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.41
HTR2B P41595 1/20 0.41
GAA P10253 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
RBP4 P02753 3/20 0.33
ATM Q13315 1/20 0.33
TP53 P04637 2/20 0.33
GRM2 Q14416 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
TEAD1 P28347 1/20 0.32
NOTUM Q6P988 1/20 0.32

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
SCHEMBL5996899 0.86 HTR2C (0.41) HTR2CHTR2BGAATDP1RBP4
SCHEMBL5996586 0.79 TP53 (0.40) HTR2CHTR2BTP53MAPT
SCHEMBL2740658 0.78 HTR2C (0.41) HTR2CHTR2BGAATDP1RBP4
SCHEMBL12924535 0.78 TEAD1 (0.50) HTR2CHTR2BGAATDP1RBP4
SCHEMBL18754425 0.78 HTR2C (0.41) HTR2CHTR2BGAATDP1RBP4
SCHEMBL5993551 0.74 TEAD1 (0.38) HTR2CTEAD1
SCHEMBL5997185 0.73 TSHR (0.49) GAAATMMAPT
SCHEMBL3692855 0.70 HTR2C (0.42) HTR2CHTR2BGAATDP1RBP4
SCHEMBL5995643 0.70 ALDH1A1 (0.48) GAATDP1TP53
SCHEMBL1498947 0.69 HTR2C (0.50) HTR2CHTR2BGAATDP1RBP4

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-7026321-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2006-04-11 US disclosed
EP-1583751-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CARDIOVASCULAR DISEASES CV THERAPEUTICS, INC. (US) 2005-10-12 EP disclosed
US-20040186109-A1 piperazine derivatives, e.g., (2R)-1-(2-methylbenzothiazol-5-yloxy)-3-[4-({5-[4-(trifluoromethyl)phenyl](4,5-dihydroisoxazol-3-yl)}methyl)piperazinyl]propan-2-ol; treating diabetes, arrhythmia, intermittent claudication, angina, congestive heart disease, and myocardial infarction CV THERAPEUTICS, INC. 2004-09-23 US disclosed
WO-2004069818-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CARDIOVASCULAR DISEASES CV THERAPEUTICS INC. (US) 2004-08-19 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-20040186109-A1 piperazine derivatives, e.g., (2R)-1-(2-methylbenzothiazol-5-yloxy)-3-[4-({5-[4-(trifluoromethyl)phenyl](4,5-dihydroisoxazol-3-yl)}methyl)piperazinyl]propan-2-ol; treating diabetes, arrhythmia, intermittent claudication, angina, congestive heart disease, and myocardial infarction KCNJ2, PPARA, PPARD HTR2C 1810/4885HTR2B 3190/4885GAA 3216/4885

“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.