SCHEMBL1253240

SCHEMBL1253240

CCOC(=O)C1CCN(c2ncccc2C(F)(F)F)CC1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
KDM4E B2RXH2 1/20 0.59
TRPV1 Q8NER1 2/20 0.58
HRH3 Q9Y5N1 2/20 0.54
RBP4 P02753 2/20 0.54
MALT1 Q9UDY8 1/20 0.54
MAPT P10636 1/20 0.54
GAA P10253 1/20 0.53
CYP2C19 P33261 1/20 0.53
HSD11B1 P28845 1/20 0.51
CTSB P07858 1/20 0.51
EPHX2 P34913 1/20 0.50
PDK2 Q15119 1/20 0.49
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL4193086 0.85 HRH3 (0.49) ALDH1A1TRPV1HRH3RBP4MALT1
SCHEMBL4913516 0.85 DGAT1 (0.49) ALDH1A1KDM4ETRPV1RBP4MALT1
SCHEMBL3594750 0.84 MAPT (0.59) ALDH1A1KDM4EMALT1MAPTGAA
SCHEMBL16648570 0.83 MAPT (0.64) ALDH1A1KDM4ETRPV1MALT1MAPT
SCHEMBL3435703 0.82 MAPT (0.57) ALDH1A1KDM4EMALT1MAPTGAA
SCHEMBL19000157 0.82 CTSB (0.64) ALDH1A1KDM4EMAPTGAACYP2C19
SCHEMBL1252470 0.82 TRPV1 (0.66) KDM4ETRPV1HRH3RBP4MALT1
SCHEMBL3436721 0.79 ALOX15 (0.58) ALDH1A1MAPTGAACYP2C19CTSB
SCHEMBL4255322 0.79 CTSB (0.68) ALDH1A1MAPTCYP2C19CTSB
SCHEMBL195417 0.78 KDM4E (0.60) ALDH1A1KDM4EMAPTGAACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2862861-B1 PIPERIDINYLPYRAZOLOPYRIDINE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2016-01-06 EP disclosed
US-9150575-B2 Piperidinylpyrazolopyridine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-10-06 US disclosed
US-20150152102-A1 PIPERIDINYLPYRAZOLOPYRIDINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-06-04 US disclosed
EP-2862861-A1 PIPERIDINYLPYRAZOLOPYRIDINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-04-22 EP disclosed
US-8168827-B2 Amide derivative AJINOMOTO CO., INC. (JP) 2012-05-01 US disclosed
EP-2281823-A2 Anti-inflammatory and analgesic piperidine derivatives Ajinomoto Co., Inc. (JP) 2011-02-09 EP disclosed
US-20090258900-A1 AMIDE DERIVATIVE AJINOMOTO CO. INC (JP) 2009-10-15 US disclosed
US-7572815-B2 Amide derivative AJINOMOTO CO., INC. (JP) 2009-08-11 US disclosed
EP-1627869-A1 AMIDE DERIVATIVE Ajinomoto Co., Inc. (JP) 2006-02-22 EP 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-20090258900-A1 AMIDE DERIVATIVE NR0B1, NR0B2, NR1I3 ALDH1A1 2733/4885KDM4E 2426/4885TRPV1 804/4885
US-20150152102-A1 PIPERIDINYLPYRAZOLOPYRIDINE DERIVATIVE LCAT, LPL, LCLAT1 ALDH1A1 907/4885KDM4E 3879/4885TRPV1 591/4885

“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.