SCHEMBL16740973

SCHEMBL16740973

COCOc1ccc(N(C)C(=O)C(F)(F)F)nc1Cl

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 1/20 0.38
▸ CLCN2 P51788 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ATF1 P18846 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ TPH1 P17752 5/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ S1PR4 O95977 1/20 0.32
▸ DGAT1 O75907 3/20 0.31
▸ XPO1 O14980 1/20 0.31
▸ XDH P47989 1/20 0.31
▸ GSK3B P49841 1/20 0.30
▸ MRGPRX4 Q96LA9 1/20 0.30
▸ GAA P10253 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
SCHEMBL18065930 0.78 S1PR4 (0.38) CLCN2MEN1KMT2ATPH1S1PR4
SCHEMBL16742548 0.72 TPH1 (0.41) TPH1
SCHEMBL16741125 0.71 TPH1 (0.40) CLCN2TPH1XPO1
SCHEMBL16741093 0.70 KDM4E (0.49) CLCN2S1PR4XDHMRGPRX4
SCHEMBL16741051 0.69 CNR2 (0.41) CLCN2TPH1PDE4BS1PR4XDH
SCHEMBL16742565 0.69 MRGPRX4 (0.44) CLCN2TPH1S1PR4GSK3BMRGPRX4
SCHEMBL16741014 0.68 TPH1 (0.45) MEN1KMT2ATPH1NPSR1
SCHEMBL16741034 0.67 TPH1 (0.47) TPH1NPSR1
SCHEMBL16741230 0.66 TDP1 (0.46) MEN1KMT2ATPH1NPSR1
SCHEMBL8756155 0.66 S1PR4 (0.40) CLCN2MEN1KMT2ATPH1S1PR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10189839-B2 Tricyclic imidazole compounds as inhibitors of tryptophan hydroxylase ACTELION PHARMACEUTICALS LTD (CH) 2019-01-29 — — US disclosed
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
EP-3071567-B1 TRICYCLIC IMIDAZOLE COMPOUNDS AS INHIBITORS OF TRYPTOPHAN HYDROXYLASE ACTELION PHARMACEUTICALS LTD (CH) 2017-09-06 — — EP disclosed
WO-2016177690-A1 TRICYCLIC PIPERIDINE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2016-11-10 — — WO disclosed
US-20160289232-A1 TRICYCLIC IMIDAZOLE COMPOUNDS AS INHIBITORS OF TRYPTOPHAN HYDROXYLASE ACTELION PHARMACEUTICALS LTD (CH) 2016-10-06 — — US disclosed
EP-3071567-A1 TRICYCLIC IMIDAZOLE COMPOUNDS AS INHIBITORS OF TRYPTOPHAN HYDROXYLASE Actelion Pharmaceuticals Ltd (CH) 2016-09-28 — — EP 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-2015075025-A1 TRICYCLIC IMIDAZOLE COMPOUNDS AS INHIBITORS OF TRYPTOPHAN HYDROXYLASE ACTELION PHARMACEUTICALS LTD (CH) 2015-05-28 — — WO 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 (4 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-10189839-B2 Tricyclic imidazole compounds as inhibitors of tryptophan hydroxylase TPH1, TPH2, MAOB GRM5 1582/4885CLCN2 4250/4885MEN1 1574/4885
US-20180155344-A1 TRICYCLIC PIPERIDINE COMPOUNDS TPH1, TPH2, HTR1B GRM5 774/4885CLCN2 3003/4885MEN1 1152/4885
US-20160272655-A1 TRICYCLIC PIPERIDINE COMPOUNDS TPH1, HTR1B, HTR1A GRM5 782/4885CLCN2 3332/4885MEN1 1689/4885
US-20160289232-A1 TRICYCLIC IMIDAZOLE COMPOUNDS AS INHIBITORS OF TRYPTOPHAN HYDROXYLASE TPH1, TPH2, MAOB GRM5 1582/4885CLCN2 4250/4885MEN1 1574/4885

“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.

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