SCHEMBL17853347

SCHEMBL17853347

CCC(C)CCN(C)C1CCN(c2nc(N)n[nH]2)CC1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CHIA Q9BZP6 17/20 0.42
▸ CHIT1 Q13231 16/20 0.42
▸ KCNH2 Q12809 4/20 0.32
▸ HRH4 Q9H3N8 1/20 0.31
▸ TSHR P16473 1/20 0.31

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
SCHEMBL17853355 0.79 CHIA (0.42) CHIACHIT1
SCHEMBL16826006 0.77 CHIA (0.70) CHIACHIT1KCNH2
SCHEMBL16826256 0.77 CHIA (0.71) CHIACHIT1KCNH2
Hydrochloric Acid SCHEMBL21638347 0.76 CHIA (0.69) CHIACHIT1KCNH2
SCHEMBL16825846 0.76 CHIA (0.69) CHIACHIT1KCNH2
SCHEMBL16826076 0.75 CHIA (0.70) CHIACHIT1KCNH2
SCHEMBL16825876 0.74 CHIA (0.70) CHIACHIT1KCNH2
SCHEMBL18129147 0.74 CHIA (0.57) CHIACHIT1KCNH2
SCHEMBL18129092 0.74 CHIA (0.57) CHIACHIT1KCNH2
SCHEMBL16825994 0.73 CHIA (0.50) CHIACHIT1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016099311-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS ACIDIC MAMMALIAN CHITINASE INHIBITORS OncoArendi Therapeutics Sp. z o.o. (PL) 2016-06-23 — — WO disclosed
US-20150166533-A1 NOVEL 1,3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE DERIVATIVES SUBSTITUTED WITH BENZIMIDAZOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN R&D IRELAND (US) 2015-06-18 — — 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 (1 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-20150166533-A1 NOVEL 1,3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE DERIVATIVES SUBSTITUTED WITH BENZIMIDAZOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS ZC3HAV1, ZC3HAV1L, SARS1 CHIA 4039/4885CHIT1 3457/4885KCNH2 3120/4885

“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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