SCHEMBL12988090

SCHEMBL12988090

c1ccc(CC2CCCCN2c2c[nH]nn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 2/20 0.49
▸ ROCK1 Q13464 2/20 0.49
▸ CDC42BPB Q9Y5S2 2/20 0.49
▸ ATM Q13315 12/20 0.47
▸ PIK3C3 Q8NEB9 7/20 0.46
▸ ATR Q13535 1/20 0.43
▸ GBA1 P04062 1/20 0.43
▸ PRKDC P78527 1/20 0.43
▸ ABHD6 Q9BV23 3/20 0.40
▸ DAGLA Q9Y4D2 3/20 0.40

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
SCHEMBL9196800 0.69 ATM (0.43) ROCK2ROCK1CDC42BPBATMPIK3C3
SCHEMBL3013753 0.68 ROCK2 (0.47) ROCK2ROCK1CDC42BPBATMPIK3C3
SCHEMBL8177314 0.68 AGTR2 (0.49) GBA1
SCHEMBL16687258 0.68 DPP4 (0.43) —
SCHEMBL15094982 0.68 SLC6A2 (0.46) ROCK2ROCK1CDC42BPBATMPIK3C3
SCHEMBL5929231 0.68 ATM (0.45) ROCK2ROCK1CDC42BPBATMPIK3C3
SCHEMBL350911 0.67 HSD11B1 (0.48) ABHD6DAGLA
SCHEMBL2606119 0.67 ADRA2A (0.53) —
SCHEMBL27304337 0.67 HSD11B1 (0.45) ABHD6DAGLA
SCHEMBL7413375 0.67 HSD11B1 (0.45) ABHD6DAGLA

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-9108930-B2 N1- and N2-carbamoyl-1,2,3-triazole serine hydrolase inhibitors and methods THE SCRIPPS RESEARCH INSTITUTE (US) 2015-08-18 — — US disclosed
US-20140018318-A1 N1- and N2-CARBAMOYL-1,2,3-TRIAZOLE SERINE HYDROLASE INHIBITORS AND METHODS THE SCIPPS RESEARCH INSTITUTE (US) 2014-01-16 — — US disclosed
WO-2012138877-A1 N1- AND N2-CARBAMOYL-1,2,3-TRIAZOLE SERINE HYDROLASE INHIBITORS AND METHODS THE SCRIPPS RESEARCH INSTITUTE (US) 2012-10-11 — — WO 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-20140018318-A1 N1- and N2-CARBAMOYL-1,2,3-TRIAZOLE SERINE HYDROLASE INHIBITORS AND METHODS PRSS1, PRSS3, CES1 ROCK2 1834/4885ROCK1 891/4885CDC42BPB 2573/4885

“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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