SCHEMBL16270175

SCHEMBL16270175

CCOC(=O)c1cc(OCc2ccccc2)nn1CCCN

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ POLB P06746 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.47
▸ MAPT P10636 2/20 0.44
▸ MAPK1 P28482 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ HSP90AA1 P07900 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ PKM P14618 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ GABRA1 P14867 1/20 0.39
▸ GABRG2 P18507 1/20 0.39
▸ GABRB3 P28472 1/20 0.39
▸ GABRA5 P31644 1/20 0.39
▸ GABRA3 P34903 1/20 0.39
▸ GABRA2 P47869 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
SCHEMBL16270460 0.89 SMN1; SMN2 (0.53) SMN1; SMN2POLBTDP1MAPTMAPK1
SCHEMBL16270153 0.81 SYK (0.43) SMN1; SMN2POLBTDP1MAPTMAPK1
SCHEMBL16270169 0.79 SYK (0.45) SMN1; SMN2POLBTDP1MAPTMEN1
SCHEMBL16704549 0.78 HTR2C (0.46) PKMALDH1A1
SCHEMBL29191616 0.78 SMN1; SMN2 (0.47) SMN1; SMN2POLBTDP1MAPTMAPK1
SCHEMBL27028458 0.76 SMN1; SMN2 (0.52) SMN1; SMN2POLBTDP1MAPTMAPK1
SCHEMBL16682536 0.76 SMN1; SMN2 (0.54) SMN1; SMN2POLBTDP1MAPTMAPK1
SCHEMBL5112459 0.76 LMNA (0.48) SMN1; SMN2POLBTDP1MAPTNPC1
Hydrochloric Acid SCHEMBL18187529 0.75 SMN1; SMN2 (0.53) SMN1; SMN2POLBTDP1MAPTMAPK1
SCHEMBL21315725 0.75 SMN1; SMN2 (0.53) SMN1; SMN2POLBTDP1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150216863-A1 SUBSTITUTED BICYCLIC ALKOXY PYRAZOLE ANALOGS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS UNIV VANDERBILT (US) 2015-08-06 — — US disclosed
US-20150216863-A1 SUBSTITUTED BICYCLIC ALKOXY PYRAZOLE ANALOGS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS UNIV VANDERBILT (US) 2015-08-06 — — US disclosed
US-9029366-B2 Substituted bicyclic alkoxy pyrazole analogs as allosteric modulators of mGluR5 receptors VANDERBILT UNIVERSITY (US) 2015-05-12 — — US disclosed
US-9029366-B2 Substituted bicyclic alkoxy pyrazole analogs as allosteric modulators of mGluR5 receptors VANDERBILT UNIVERSITY (US) 2015-05-12 — — US disclosed
WO-2013192346-A9 SUBSTITUTED BICYCLIC ALKOXY PYRAZOLE ANALOGS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS VANDERBILT UNIVERSITY (US) 2014-12-18 — — WO disclosed
US-8901125-B2 Substituted bicyclic alkoxy pyrazole analogs as allosteric modulators of mGluR5 receptors VANDERBILT UNIVERSITY (US) 2014-12-02 — — US disclosed
US-8901125-B2 Substituted bicyclic alkoxy pyrazole analogs as allosteric modulators of mGluR5 receptors VANDERBILT UNIVERSITY (US) 2014-12-02 — — 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-20150216863-A1 SUBSTITUTED BICYCLIC ALKOXY PYRAZOLE ANALOGS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS GRM5, GRIK5, GRM3 SMN1; SMN2 2453/4885POLB 4610/4885TDP1 2368/4885

“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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