SCHEMBL14637838

SCHEMBL14637838

COc1cc(C2CC2)ncc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.41
▸ ALDH1A1 P00352 5/20 0.40
▸ LMNA P02545 2/20 0.40
▸ TDP1 Q9NUW8 3/20 0.40
▸ PIN1 Q13526 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ PRKDC P78527 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ SIRT6 Q8N6T7 1/20 0.39
▸ PDGFRB P09619 1/20 0.39
▸ PDGFRA P16234 1/20 0.39
▸ PKM P14618 1/20 0.38
▸ CHEK1 O14757 1/20 0.38
▸ TUBB4A P04350 1/20 0.37
▸ TUBB P07437 1/20 0.37
▸ TUBA3C P0DPH7 1/20 0.37
▸ TUBA1B P68363 1/20 0.37
▸ TUBA4A P68366 1/20 0.37

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
SCHEMBL12480062 0.80 ALDH1A1 (0.48) MAPTALDH1A1CYP3A4HSD17B10MAPK1
SCHEMBL4719832 0.76 ALDH1A1 (0.46) MAPTALDH1A1LMNATDP1PIN1
SCHEMBL30399809 0.76 ALDH1A1 (0.46) MAPTALDH1A1LMNATDP1PIN1
SCHEMBL14333666 0.76 ALDH1A1 (0.46) MAPTALDH1A1LMNATDP1PIN1
SCHEMBL221671 0.74 ALDH1A1 (0.44) MAPTALDH1A1LMNATDP1PIN1
SCHEMBL31104497 0.74 ALDH1A1 (0.44) MAPTALDH1A1LMNATDP1PIN1
SCHEMBL29179660 0.74 HTT (0.45) MAPTALDH1A1LMNATDP1PIN1
SCHEMBL17222837 0.74 ALDH1A1 (0.44) MAPTALDH1A1LMNATDP1PIN1
SCHEMBL1100650 0.74 PIN1 (0.50) MAPTALDH1A1LMNATDP1PIN1
SCHEMBL29811740 0.74 PIN1 (0.50) MAPTALDH1A1LMNATDP1PIN1

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
EP-3121177-B1 COMBINATIONS OF TRPV4 ANTAGONISTS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2018-08-01 — — EP disclosed
EP-3121177-A1 COMBINATIONS OF TRPV4 ANTAGONISTS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2017-01-25 — — EP disclosed
EP-2721016-B1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2016-04-06 — — EP disclosed
US-9187464-B2 TRPV4 antagonists GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2015-11-17 — — US disclosed
US-20140121206-A1 TRPV4 ANTAGONISTS GlaxoSmithKliine, LLC (US) 2014-05-01 — — US disclosed
EP-2721016-A1 TRPV4 ANTAGONISTS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2014-04-23 — — EP disclosed
WO-2013012500-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2013-01-24 — — 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-20140121206-A1 TRPV4 ANTAGONISTS TRPV4, TRPV3, TRPV5 MAPT 2993/4885ALDH1A1 2000/4885LMNA 2583/4885

“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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