SCHEMBL3280241

SCHEMBL3280241

NCc1c[nH]c2cc(Cl)ccc12

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.73
SLC6A4 P31645 1/20 0.56
HTR2A P28223 6/20 0.56
TRPM8 Q7Z2W7 1/20 0.56
MPO P05164 1/20 0.50
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.46
ALDH1A1 P00352 1/20 0.46
DYRK1A Q13627 2/20 0.44
NR4A2 P43354 1/20 0.44
GSK3B P49841 1/20 0.43
ADRB3 P13945 1/20 0.43

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
SCHEMBL1971111 0.86 HTR2A (0.76) GPR84SLC6A4HTR2ATRPM8MPO
SCHEMBL892446 0.85 HTR2A (0.75) GPR84SLC6A4HTR2ATRPM8MPO
SCHEMBL27929621 0.85 GPR84 (1.00) GPR84SLC6A4HTR2ATRPM8ALDH1A1
Hydrochloric Acid SCHEMBL2537521 0.84 HTR2A (0.73) GPR84SLC6A4HTR2ATRPM8MPO
Hydrochloric Acid SCHEMBL30396693 0.84 HTR2A (0.73) GPR84SLC6A4HTR2ATRPM8MPO
SCHEMBL3195765 0.81 GPR84 (0.73) GPR84SLC6A4HTR2ATRPM8ALDH1A1
SCHEMBL2404863 0.81 GPR84 (0.73) GPR84SLC6A4HTR2ATRPM8HTR2C
SCHEMBL4185239 0.79 HTR2A (0.53) GPR84HTR2ATRPM8MPOHTR2C
SCHEMBL24452687 0.79 GPR84 (0.69) GPR84SLC6A4HTR2ATRPM8HTR2C
SCHEMBL7716375 0.79 GPR84 (0.69) GPR84SLC6A4HTR2ATRPM8HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3089746-A1 THERAPEUTIC INHIBITORY COMPOUNDS Lifesci Pharmaceuticals, Inc. (BB) 2016-11-09 EP disclosed
WO-2015103317-A1 THERAPEUTIC INHIBITORY COMPOUNDS LIFESCI PHARMACEUTICALS, INC. (BB) 2015-07-09 WO disclosed
WO-2015103317-A1 THERAPEUTIC INHIBITORY COMPOUNDS LIFESCI PHARMACEUTICALS, INC. (BB) 2015-07-09 WO disclosed
US-7705034-B2 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. (US) 2010-04-27 US disclosed
CN-101522615-A Vinylogous acids derivatives as chymase inhibitors HOFFMANN LA ROCHE (CH) 2009-09-02 CN disclosed
EP-2074090-A1 VINYLOGOUS ACIDS DERIVATIVES AS CHYMASE INHIBITORS F. Hoffmann-Roche AG (CH) 2009-07-01 EP disclosed
US-20080096953-A1 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. 2008-04-24 US disclosed
WO-2008043698-A1 VINYLOGOUS ACIDS DERIVATIVES AS CHYMASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-04-17 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-20080096953-A1 Vinylogous acid derivatives CMA1, TPSG1, GAA GPR84 686/4885SLC6A4 3257/4885HTR2A 3360/4885

“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.