SCHEMBL739581

SCHEMBL739581

Cn1nc(O)c(Cl)c1C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPK8 P45983 1/20 0.31
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL10473281 0.84
SCHEMBL25001139 0.81 CNR1 (0.31)
SCHEMBL10473359 0.77
SCHEMBL3157358 0.77
SCHEMBL13066536 0.77 KDM4E (0.38) MEN1CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL13693058 0.77 ADORA2A (0.39) MEN1CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL17542481 0.76 MAPT (0.39) MEN1CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL8918080 0.75 MEN1 (0.34) MEN1CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL10472357 0.75
SCHEMBL14044199 0.75 GABRB3 (0.34) MEN1CYP1A2CYP2C9CYP2C19KMT2A

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180155344-A1 TRICYCLIC PIPERIDINE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2018-06-07 US disclosed
EP-3292127-A1 TRICYCLIC PIPERIDINE COMPOUNDS Actelion Pharmaceuticals Ltd (CH) 2018-03-14 EP disclosed
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
WO-2016177690-A1 TRICYCLIC PIPERIDINE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2016-11-10 WO 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
EP-1720545-B1 BICYCLIC AND BRIDGED NITROGEN HETEROCYCLES CHEMOCENTRYX INC (US) 2014-10-29 EP disclosed
US-8138340-B2 Bicyclononene derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-03-20 US disclosed
EP-0453065-A1 Triazolopyridine derivatives ZENECA LIMITED (GB) 1991-10-23 EP disclosed
EP-0442654-A2 Heterocyclic compounds ZENECA LIMITED (GB) 1991-08-21 EP disclosed
EP-0442655-A2 Benzisoxazole derivatives ZENECA LIMITED (GB) 1991-08-21 EP disclosed
US-4964895-A Substituted 4-(4-nitrophenoxy) pyrazoles and their use as herbicides MONSANTO COMPANY (US) 1990-10-23 US disclosed
EP-0371947-A1 Substituted pyrazoles and their use as herbicides Monsanto Company (US) 1990-06-06 EP disclosed
US-4855442-A Substituted 3-hydroxy pyrazoles MONSANTO COMPANY (US) 1989-08-08 US disclosed
CN-1033457-A 3-(4-nitrophenoxy) pyrazoles that replaces and as the purposes of weedicide MONSANTO CO (US) 1989-06-21 CN disclosed
CN-1031375-A The  oxazolidine dihaloacetamides class of 5-heterocyclic substituted MONSANTO CO (US) 1989-03-01 CN disclosed
EP-0304409-A1 5-Heterocyclic-substituted oxazolidine haloacetamides MONSANTO COMPANY (US) 1989-02-22 EP disclosed
EP-0295233-A2 Substituted 3-(4-nitrophenoxy)pyrazoles and their use as herbicides Monsanto Company (US) 1988-12-14 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-20180155344-A1 TRICYCLIC PIPERIDINE COMPOUNDS TPH1, TPH2, HTR1B MEN1 1152/4885CYP1A2 30/4885CYP2C9 70/4885
US-20160272655-A1 TRICYCLIC PIPERIDINE COMPOUNDS TPH1, HTR1B, HTR1A MEN1 1689/4885CYP1A2 23/4885CYP2C9 81/4885

“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.