SCHEMBL5203096

SCHEMBL5203096

CC(C)CNC1Cc2ccccc2C1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 4/20 0.52
SIGMAR1 Q99720 1/20 0.49
NPY1R P25929 1/20 0.48
PRMT5 O14744 10/20 0.47
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
GRM7 Q14831 2/20 0.45

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
SCHEMBL8092616 0.83 GRM7 (0.50) GRIN2BSIGMAR1NPY1RPRMT5GRM7
SCHEMBL23095824 0.83 GRIN2B (0.54) GRIN2BSIGMAR1NPY1RPRMT5MAOA
SCHEMBL23095755 0.80 NPY1R (0.56) NPY1RPRMT5
SCHEMBL4859978 0.78 GRIN2B (0.55) GRIN2BSIGMAR1MAOAMAOB
Hydrochloric Acid SCHEMBL1026811 0.77 GRIN2B (0.53) GRIN2BSIGMAR1MAOAMAOB
SCHEMBL17560147 0.76 NPY1R (0.56) NPY1RPRMT5
SCHEMBL12656184 0.76 KDM4E (0.59) GRIN2BNPY1RPRMT5
SCHEMBL17560157 0.76 NPY1R (0.56) NPY1RPRMT5
SCHEMBL17572160 0.76 NPY1R (0.56) NPY1RPRMT5
SCHEMBL1792787 0.75 GRIN2B (0.61) GRIN2BSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210154188-A1 ALK5 INHIBITORS, CONJUGATES, AND USES THEREOF SILVERBACK THERAPEUTICS, INC. 2021-05-27 US disclosed
WO-2020247860-A1 BROAD SPECTRUM ANTIVIRAL COMPOUNDS TARGETING THE SKI COMPLEX UNIVERSITY OF MARYLAND, BALTIMORE (US) 2020-12-10 WO disclosed
US-20110230465-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2011-09-22 US disclosed
EP-1819686-A1 5-HYDROXY-BENZOTHIAZOLE DERIVATIVES HAVING BETA-2-ADRENORECPTOR AGONIST ACTIVITY Novartis AG (CH) 2007-08-22 EP disclosed
WO-2006056471-A1 5-HYDROXY-BENZOTHIAZOLE DERIVATIVES HAVING BETA-2-ADRENORECPTOR AGONIST ACTIVITY NOVARTIS AG (CH) 2006-06-01 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 (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-20210154188-A1 ALK5 INHIBITORS, CONJUGATES, AND USES THEREOF ALK, ALKBH5, ALKBH3 GRIN2B 4620/4885SIGMAR1 4276/4885NPY1R 3603/4885
US-20110230465-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2H, POLR2E GRIN2B 3161/4885SIGMAR1 418/4885NPY1R 1861/4885

“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.