SCHEMBL18110219

SCHEMBL18110219

CN1CCN(c2cc[c]c(Cl)n2)S1(=O)=O

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PIK3C3 Q8NEB9 2/20 0.33
▸ HTR5A P47898 1/20 0.32
▸ CHEK1 O14757 1/20 0.30
▸ PDCD1 Q15116 1/20 0.30
▸ CD274 Q9NZQ7 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
SCHEMBL16741177 0.73 HTR3A (0.56) —
SCHEMBL16742827 0.67 CNR2 (0.44) —
SCHEMBL10192164 0.64 HTR5A (0.42) PIK3C3HTR5A
SCHEMBL18065926 0.64 SLC6A2 (0.42) —
SCHEMBL16742945 0.64 CNR2 (0.40) —
SCHEMBL18608874 0.63 PIK3C3 (0.40) PIK3C3HTR5A
SCHEMBL16742522 0.61 KMT2A (0.53) —
SCHEMBL16741079 0.60 PDE10A (0.31) —
SCHEMBL16742786 0.60 NSD2 (0.36) —
SCHEMBL16742736 0.60 MAP3K12 (0.34) —

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 6 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 claimed
EP-3071567-B1 TRICYCLIC IMIDAZOLE COMPOUNDS AS INHIBITORS OF TRYPTOPHAN HYDROXYLASE ACTELION PHARMACEUTICALS LTD (CH) 2017-09-06 — — EP claimed
US-20160289232-A1 TRICYCLIC IMIDAZOLE COMPOUNDS AS INHIBITORS OF TRYPTOPHAN HYDROXYLASE ACTELION PHARMACEUTICALS LTD (CH) 2016-10-06 — — US claimed
US-10189839-B2 Tricyclic imidazole compounds as inhibitors of tryptophan hydroxylase ACTELION PHARMACEUTICALS LTD (CH) 2019-01-29 — — 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

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-10189839-B2 Tricyclic imidazole compounds as inhibitors of tryptophan hydroxylase TPH1, TPH2, MAOB PIK3C3 1924/4885HTR5A 19/4885CHEK1 2972/4885
US-20160289232-A1 TRICYCLIC IMIDAZOLE COMPOUNDS AS INHIBITORS OF TRYPTOPHAN HYDROXYLASE TPH1, TPH2, MAOB PIK3C3 1924/4885HTR5A 19/4885CHEK1 2972/4885

“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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