SCHEMBL3412960

SCHEMBL3412960

COc1cc(C)cc2c1C(Nc1ccc3cc(NC(=O)NC(C)C)ccc3n1)CC2

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 11/20 0.39
CASP3 P42574 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 2/20 0.35
POLB P06746 1/20 0.35
KDR P35968 1/20 0.34
GNRHR P30968 1/20 0.34
PDE4A P27815 1/20 0.34

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
SCHEMBL3408465 0.89 NPY1R (0.44) NPY1RNPC1
SCHEMBL3410887 0.85 SMN1; SMN2 (0.43)
SCHEMBL3415253 0.85 NPY1R (0.36) NPY1RCASP3SENP7NPC1MAPT
SCHEMBL3406614 0.85 NPC1 (0.44) NPY1RCASP3SENP7NPC1MAPT
SCHEMBL3413644 0.82 NPY1R (0.46) NPY1R
SCHEMBL3414719 0.80 NPY1R (0.45) NPY1R
SCHEMBL3410563 0.79 NPY1R (0.48) NPY1RNPC1
SCHEMBL3431441 0.79 MAPT (0.37) MAPTPOLBPDE4A
SCHEMBL3413243 0.79 NPY1R (0.36) NPY1RMAPTPOLBKDR
SCHEMBL4108326 0.79 HTR1A (0.38) MAPTPOLB

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
US-8183380-B2 2-aminoquinolines HOFFMANN-LA ROCHE INC. (US) 2012-05-22 US claimed
EP-2262789-A1 2-AMINOQUINOLINES F. Hoffmann-La Roche AG (CH) 2010-12-22 EP claimed
WO-2009109477-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-11 WO claimed
US-20090227570-A1 2-AMINOQUINOLINES HOFFMANN-LA ROCHE, INC. 2009-09-10 US claimed
US-8183380-B2 2-aminoquinolines HOFFMANN-LA ROCHE INC. (US) 2012-05-22 US disclosed
EP-2262789-A1 2-AMINOQUINOLINES F. Hoffmann-La Roche AG (CH) 2010-12-22 EP disclosed
WO-2009109477-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-11 WO disclosed
US-20090227570-A1 2-AMINOQUINOLINES HOFFMANN-LA ROCHE, INC. 2009-09-10 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-20090227570-A1 2-AMINOQUINOLINES HTR5A, HTR2C, HTR2A NPY1R 93/4885CASP3 2829/4885SENP7 4214/4885

“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.