SCHEMBL16742964

SCHEMBL16742964

O=C(O)COc1cnc(C(F)(F)F)nc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.42
TDP1 Q9NUW8 1/20 0.40
KMT2A Q03164 1/20 0.39
PLAU P00749 1/20 0.39
TPH1 P17752 1/20 0.39
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 2/20 0.38
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 1/20 0.37
AKR1B1 P15121 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
CASP1 P29466 1/20 0.37
PPARG P37231 1/20 0.37
CASP7 P55210 1/20 0.37
NCOA2 Q15596 1/20 0.37
NCOA1 Q15788 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL16741203 0.76 PTGDR2 (0.48) PTGDR2TDP1CYP2C19KDM4ETSHR
SCHEMBL4415725 0.76 KEAP1 (0.44) KMT2ASMN1; SMN2ALDH1A1
SCHEMBL24975432 0.75 PIN1 (0.40) TDP1PLAUSMN1; SMN2MAPT
SCHEMBL5736940 0.74 PDE4B (0.41) TDP1KMT2ACYP2C19KDM4ETSHR
SCHEMBL16742795 0.73 HPGD (0.46) TDP1KMT2APLAUTPH1CYP2C19
SCHEMBL8697289 0.72 NFKB1 (0.41) KMT2AALDH1A1
SCHEMBL26150387 0.71 NFKB1 (0.40) KMT2AALDH1A1CASP1
SCHEMBL28874828 0.71 MAPT (0.44) KMT2AMAPTALDH1A1
SCHEMBL30574458 0.71 NFKB1 (0.58) KMT2AKDM4ESMN1; SMN2MAPTALDH1A1
SCHEMBL131646 0.71 NFKB1 (0.58) KMT2AKDM4ESMN1; SMN2MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3071578-B1 TRICYCLIC PIPERIDINE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2018-01-10 EP disclosed
US-9765092-B2 Tricyclic piperidine compounds ACTELION PHARMACEUTICALS LTD (CH) 2017-09-19 US disclosed
EP-3071578-A1 TRICYCLIC PIPERIDINE COMPOUNDS Actelion Pharmaceuticals Ltd (CH) 2016-09-28 EP disclosed
US-20160272655-A1 TRICYCLIC PIPERIDINE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2016-09-22 US disclosed
WO-2015075023-A1 TRICYCLIC PIPERIDINE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2015-05-28 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-20160272655-A1 TRICYCLIC PIPERIDINE COMPOUNDS TPH1, HTR1B, HTR1A PTGDR2 149/4885TDP1 1034/4885KMT2A 579/4885

“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.