SCHEMBL1808702

SCHEMBL1808702

C1=Cc2ccccc2[N]CC1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.31

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
SCHEMBL7354096 0.88 ALDH1A1 (0.31)
SCHEMBL1162579 0.82 TRPA1 (0.33) TRPA1
SCHEMBL9298 0.77 TRPA1 (0.33) TRPA1
Water SCHEMBL8322206 0.76 TRPA1 (0.32) TRPA1
SCHEMBL2516591 0.71 TRPA1 (0.36) TRPA1
SCHEMBL11531367 0.67 NOS3 (0.33) TRPA1
SCHEMBL9728983 0.65 TRPA1 (0.31) TRPA1
SCHEMBL7947507 0.65 TRPA1 (0.35) TRPA1
Bromide SCHEMBL3719760 0.64 TRPA1 (0.34) TRPA1
SCHEMBL2518626 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10130634-B2 Therapeutic agent for ophthalmic disease MITSUBISHI TANABE PHARMA CORPORATION (JP) 2018-11-20 US disclosed
US-20160193217-A1 THERAPEUTIC AGENT FOR OPHTHALMIC DISEASE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-07-07 US disclosed
EP-1801108-B9 MORPHOLINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATIONS MITSUBISHI TANABE PHARMA CORP (JP) 2013-11-20 EP disclosed
EP-1801108-B1 MORPHOLINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATIONS MITSUBISHI TANABE PHARMA CORP (JP) 2012-11-14 EP disclosed
US-7935700-B2 Morpholine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-05-03 US disclosed
US-20070265257-A1 Morpholine Compound MITSUBISHI PHARMA CORPORATION (JP) 2007-11-15 US disclosed
EP-1801108-A1 MORPHOLINE COMPOUND Mitsubishi Pharma Corporation (JP) 2007-06-27 EP disclosed
US-5726172-A BENZOXAZINONE DERIVATIVES; TREATMENT OF PRETERM LABOR, DYSMENORRHEA MERCK & CO., INC. (US) 1998-03-10 US disclosed
EP-0450097-A1 BENZOHETEROCYCLIC COMPOUNDS. OTSUKA PHARMA CO LTD (JP) 1991-10-09 EP 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 (3 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-10130634-B2 Therapeutic agent for ophthalmic disease MITF, UACA, VEGFA TRPA1 1580/4885
US-20160193217-A1 THERAPEUTIC AGENT FOR OPHTHALMIC DISEASE MITF, UACA, VEGFA TRPA1 1580/4885
US-20070265257-A1 Morpholine Compound CCR3, CCR1, CCR4 TRPA1 137/4885

“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.