SCHEMBL10519207

SCHEMBL10519207

Clc1[c]ccc(N2CCOCC2)n1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ CNR2 P34972 7/20 0.43
▸ KMT2A Q03164 3/20 0.42
▸ GAA P10253 1/20 0.42
▸ HTT P42858 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMPD3 Q9NY59 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ PRKDC P78527 1/20 0.39
▸ PIM1 P11309 1/20 0.39

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
SCHEMBL16741177 0.79 HTR3A (0.56) CYP1A2
SCHEMBL16742928 0.79 GAA (0.42) CYP1A2CYP2D6MAPTKMT2AGAA
SCHEMBL1819991 0.79 KMT2A (0.46) CYP1A2MAPTCNR2KMT2AGAA
SCHEMBL16742824 0.77 CNR2 (0.41) CYP1A2CYP2D6CNR2KMT2AMEN1
SCHEMBL2744690 0.73 KDM4E (0.45) MAPTKMT2AGAAHTTMEN1
SCHEMBL16741079 0.72 PDE10A (0.31) —
SCHEMBL16742623 0.72 CXCR4 (0.58) CYP1A2KMT2AMEN1NPC1RAB9A
SCHEMBL16742522 0.72 KMT2A (0.53) CYP1A2MAPTKMT2AGAAMEN1
SCHEMBL30818941 0.71 HTR3E (0.64) CYP1A2CYP2D6MAPTCNR2KMT2A
SCHEMBL8200796 0.71 HTR3E (0.64) CYP1A2CYP2D6MAPTCNR2KMT2A

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
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
US-20160289232-A1 TRICYCLIC IMIDAZOLE COMPOUNDS AS INHIBITORS OF TRYPTOPHAN HYDROXYLASE ACTELION PHARMACEUTICALS LTD (CH) 2016-10-06 — — US disclosed
EP-3071578-A1 TRICYCLIC PIPERIDINE COMPOUNDS Actelion Pharmaceuticals Ltd (CH) 2016-09-28 — — EP disclosed
EP-3071567-A1 TRICYCLIC IMIDAZOLE COMPOUNDS AS INHIBITORS OF TRYPTOPHAN HYDROXYLASE 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
EP-0196005-B1 PYRIDAZINONES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1989-12-20 — — EP disclosed
US-4831027-A USEFUL IN TREATMENT OF CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1989-05-16 — — US disclosed
EP-0196005-A1 Pyridazinones, their preparation and pharmaceutical compositions containing them Dr. Karl Thomae GmbH (DE) 1986-10-01 — — 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 (3 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 CYP1A2 30/4885CYP2D6 46/4885MAPT 1370/4885
US-20160272655-A1 TRICYCLIC PIPERIDINE COMPOUNDS TPH1, HTR1B, HTR1A CYP1A2 23/4885CYP2D6 63/4885MAPT 3210/4885
US-20160289232-A1 TRICYCLIC IMIDAZOLE COMPOUNDS AS INHIBITORS OF TRYPTOPHAN HYDROXYLASE TPH1, TPH2, MAOB CYP1A2 30/4885CYP2D6 46/4885MAPT 1370/4885

“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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