SCHEMBL18608951

SCHEMBL18608951

CCn1ncc(-c2ccc(C)cc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 2/20 0.44
▸ CHRM3 P20309 2/20 0.44
▸ METAP2 P50579 1/20 0.40
▸ METAP1 P53582 1/20 0.40
▸ GAA P10253 2/20 0.40
▸ KMT2A Q03164 6/20 0.39
▸ MEN1 O00255 5/20 0.39
▸ SMN1; SMN2 Q16637 7/20 0.39
▸ NPC1 O15118 6/20 0.39
▸ RAB9A P51151 6/20 0.39
▸ MAPT P10636 4/20 0.39
▸ LMNA P02545 3/20 0.39
▸ TP53 P04637 3/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 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
SCHEMBL5049416 0.83 CHRM2 (0.43) CHRM2CHRM3METAP2GAAKMT2A
SCHEMBL17233354 0.83 CHRM2 (0.43) CHRM2CHRM3KMT2AMEN1SMN1; SMN2
SCHEMBL5047937 0.81 TLR8 (0.51) GAAKMT2AMEN1SMN1; SMN2NPC1
SCHEMBL18590273 0.80 ALDH1A1 (0.42) CHRM2CHRM3GAAKMT2AMEN1
SCHEMBL13510718 0.80 CASP3 (0.43) CHRM2CHRM3KMT2AMEN1SMN1; SMN2
SCHEMBL18598425 0.79 CHRM2 (0.40) CHRM2CHRM3TP53ALDH1A1HSD17B10
SCHEMBL29009141 0.78 NPC1 (0.47) GAAKMT2AMEN1SMN1; SMN2NPC1
SCHEMBL5049566 0.76 WDR5 (0.45) CHRM2CHRM3NPC1RAB9AMAPT
SCHEMBL28512389 0.74 METAP2 (0.41) METAP2METAP1GAAKMT2AMEN1
Ammonia Solution, Strong SCHEMBL28862485 0.74 AOC3 (0.43) CHRM2CHRM3METAP2METAP1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170066732-A1 ANTI-ENTEROVIRUS 71 THIADIAZOLIDINE DERIVATIVE Jiangsu Kanion pharmaceutical CO. LTD (CN) 2017-03-09 — — 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-20170066732-A1 ANTI-ENTEROVIRUS 71 THIADIAZOLIDINE DERIVATIVE EIF2AK2, GTF3C5, GTF3C1 CHRM2 4846/4885CHRM3 4827/4885METAP2 1147/4885

“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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