SCHEMBL16741126

SCHEMBL16741126

COCOc1ccc(-c2ncco2)nc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TPH1 P17752 9/20 0.40
▸ AAK1 Q2M2I8 5/20 0.35
▸ GSK3B P49841 1/20 0.34
▸ S1PR4 O95977 1/20 0.34
▸ CIT O14578 1/20 0.33
▸ DAPK3 O43293 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ DAPK1 P53355 1/20 0.33
▸ MAP2K1 Q02750 1/20 0.33
▸ PKN2 Q16513 1/20 0.33
▸ TLK2 Q86UE8 1/20 0.33
▸ HIPK4 Q8NE63 1/20 0.33
▸ MKNK1 Q9BUB5 1/20 0.33
▸ MYLK2 Q9H1R3 1/20 0.33
▸ MKNK2 Q9HBH9 1/20 0.33
▸ BMP2K Q9NSY1 1/20 0.33
▸ STK39 Q9UEW8 1/20 0.33
▸ TLK1 Q9UKI8 1/20 0.33
▸ CLCN2 P51788 1/20 0.33
▸ PIN1 Q13526 1/20 0.33

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
SCHEMBL16741221 0.80 TPH1 (0.38) TPH1AAK1GSK3BS1PR4CIT
SCHEMBL16741171 0.78 TPH1 (0.45) TPH1
SCHEMBL16741220 0.77 KDM4E (0.40) TPH1GSK3B
SCHEMBL27408994 0.72 KDM4E (0.39) AAK1CCNCCDK8
SCHEMBL27408993 0.71 MAPT (0.39) CCNCCDK8
SCHEMBL27409003 0.71 ADORA1 (0.35) GSK3BCCNCCDK8ADORA2AADORA2B
SCHEMBL8756155 0.69 S1PR4 (0.40) TPH1S1PR4CLCN2
SCHEMBL18587467 0.68 TTK (0.41) —
SCHEMBL18065930 0.67 S1PR4 (0.38) TPH1S1PR4CLCN2
SCHEMBL16741094 0.67 S1PR4 (0.38) TPH1S1PR4CLCN2

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 TPH1 1/4885AAK1 4187/4885GSK3B 871/4885
US-20180155344-A1 TRICYCLIC PIPERIDINE COMPOUNDS TPH1, TPH2, HTR1B TPH1 1/4885AAK1 4514/4885GSK3B 2567/4885
US-20160272655-A1 TRICYCLIC PIPERIDINE COMPOUNDS TPH1, HTR1B, HTR1A TPH1 1/4885AAK1 4610/4885GSK3B 2977/4885
US-20160289232-A1 TRICYCLIC IMIDAZOLE COMPOUNDS AS INHIBITORS OF TRYPTOPHAN HYDROXYLASE TPH1, TPH2, MAOB TPH1 1/4885AAK1 4187/4885GSK3B 871/4885

“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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