SCHEMBL480491

SCHEMBL480491

CC(C)(C)N(C(=O)O)c1ccc(CN)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 4/20 0.39
CPB2 Q96IY4 5/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
GABRA4 P48169 1/20 0.35
GABRE P78334 1/20 0.35
GABRA6 Q16445 1/20 0.35
GABRG1 Q8N1C3 1/20 0.35
GABRG3 Q99928 1/20 0.35
GABRQ Q9UN88 1/20 0.35
KDM4E B2RXH2 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL3513125 0.86 AOC3 (0.37) AOC3GABRPGABRDGABRA1GABRB1
SCHEMBL2215212 0.85 AOC3 (0.36) AOC3GABRPGABRDGABRA1GABRB1
SCHEMBL3782597 0.85 AOC3 (0.36) AOC3GABRPGABRDGABRA1GABRB1
SCHEMBL480926 0.83 AOC3 (0.36) AOC3CPB2LOXL2L3MBTL1
SCHEMBL15575141 0.80 HCAR3 (0.33) AOC3GABRPGABRDGABRA1GABRB1
SCHEMBL3720977 0.79 GABRP (0.40) AOC3CPB2GABRPGABRDGABRA1
SCHEMBL4923675 0.78 RAB9A (0.40) KDM4ESMN1; SMN2HCAR3ALDH1A1MEN1
SCHEMBL3514121 0.77 HCAR3 (0.35) KDM4EHCAR3POLBALDH1A1MEN1
SCHEMBL29034266 0.76 GBA1 (0.46) KDM4ESMN1; SMN2HCAR3ALDH1A1MEN1
SCHEMBL1023435 0.76 KDM4E (0.42) KDM4ESMN1; SMN2LOXL2CYP1A2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120094986-A1 ANTICANCER DERIVIATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2012-04-19 US disclosed
EP-2411367-A1 ANTICANCER DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-01 EP disclosed
US-8008327-B2 Indazole compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-30 US disclosed
US-20110034512-A1 Indazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-10 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-20120094986-A1 ANTICANCER DERIVIATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF NAMPT, NQO1, NNT AOC3 3895/4885CPB2 3473/4885GABRP 4403/4885
US-20110034512-A1 Indazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCRL2 AOC3 1722/4885CPB2 4186/4885GABRP 1316/4885

“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.