SCHEMBL14803705

SCHEMBL14803705

COCCN(C)c1ncccc1C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 4/20 0.41
▸ TRPV1 Q8NER1 4/20 0.38
▸ METAP2 P50579 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ SLC40A1 Q9NP59 1/20 0.35
▸ HTT P42858 2/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ GBA1 P04062 3/20 0.34
▸ CHRM2 P08172 1/20 0.34
▸ KCNA5 P22460 2/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ ROCK2 O75116 1/20 0.33
▸ ROCK1 Q13464 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ KMT2A Q03164 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
SCHEMBL14803703 0.81 HSD17B10 (0.42) TRPV1METAP2ALDH1A1KDM4EHTT
SCHEMBL15966077 0.80 GRM4 (0.43) GRM4METAP2ALDH1A1SLC40A1GBA1
SCHEMBL14803588 0.79 ALDH1A1 (0.34) METAP2ALDH1A1KDM4EHTTNPSR1
SCHEMBL13685528 0.78 GRM4 (0.42) GRM4METAP2ALDH1A1SLC40A1GBA1
SCHEMBL14803892 0.75 KDM4E (0.38) ALDH1A1KDM4EHTTNPSR1TDP1
SCHEMBL8486135 0.73 AOC3 (0.41) GRM4ALDH1A1KDM4ESLC40A1LMNA
SCHEMBL13685527 0.72 KDM4E (0.42) GRM4ALDH1A1KDM4EHTTLMNA
SCHEMBL14803585 0.72 CXCR4 (0.38) METAP2ALDH1A1KDM4EHTTNPSR1
SCHEMBL12221508 0.72 KCNQ3 (0.36) GRM4ALDH1A1KDM4E
SCHEMBL14803583 0.70 SMN1; SMN2 (0.36) GRM4ALDH1A1HTTNPSR1TDP1

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-9169246-B2 Pyrazoloquinolinone derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2015-10-27 — — US disclosed
US-20140235616-A1 PYRAZOLOQUINOLINONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2014-08-21 — — US disclosed
US-20130079337-A1 PYRAZOLOQUINOLINONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-03-28 — — 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-20130079337-A1 PYRAZOLOQUINOLINONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF CYP11B2, COQ8A, CYP1A2 GRM4 2824/4885TRPV1 930/4885METAP2 3886/4885
US-20140235616-A1 PYRAZOLOQUINOLINONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF CYP11B2, CYP1A2, COQ8A GRM4 2785/4885TRPV1 1032/4885METAP2 4100/4885

“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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