SCHEMBL18782819

SCHEMBL18782819

CN1CCC(C(=O)S)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.39
CHRM3 P20309 2/20 0.39
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NCF1 P14598 1/20 0.36
RIPK1 Q13546 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SCN1A P35498 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN3A Q9NY46 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
GNAI3 P08754 2/20 0.33
GNAO1 P09471 2/20 0.33
GNAI1 P63096 2/20 0.33
PKM P14618 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
SCHEMBL24663565 0.86
SCHEMBL27311104 0.79 ALDH1A1 (0.42) ALDH1A1HTTCHRM3LMNACYP1A2
SCHEMBL16838100 0.77 HTT (0.45) ALDH1A1HTTLMNACYP1A2TDP1
SCHEMBL890089 0.77 CYP1A2 (0.44) ALDH1A1HTTCHRM3LMNACYP1A2
Hydrochloric Acid SCHEMBL29032347 0.77 ALDH1A1 (0.46) ALDH1A1HTTLMNACYP1A2TDP1
SCHEMBL46774 0.77 ALDH1A1 (0.55) ALDH1A1HTTLMNA
SCHEMBL18812726 0.76 CYP1A2 (0.44) CYP1A2TDP1RIPK1SMN1; SMN2
SCHEMBL15125147 0.75 ALDH1A1 (0.40) ALDH1A1HTTCHRM3LMNACYP1A2
Water SCHEMBL5420438 0.75 ALDH1A1 (0.53) ALDH1A1HTTLMNA
SCHEMBL20282827 0.75 NCF1 (0.36) ALDH1A1HTTLMNACYP1A2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10017499-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2018-07-10 US disclosed
US-9676802-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2017-06-13 US disclosed
US-20170114046-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARM INC (US) 2017-04-27 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-20170114046-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 ALDH1A1 201/4885HTT 4659/4885CHRM3 4599/4885
US-10017499-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L ALDH1A1 132/4885HTT 4500/4885CHRM3 4563/4885

“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.