SCHEMBL1948890

SCHEMBL1948890

CC(C)(C)C1Cc2cc([N+](=O)[O-])ccc2C(C)(C)N1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PNMT P11086 10/20 0.42
ADRA2A P08913 6/20 0.42
ADRA2B P18089 3/20 0.42
ADRA2C P18825 3/20 0.42
HTT P42858 2/20 0.38
TDP2 O95551 1/20 0.38

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
SCHEMBL6971552 0.72 MAPT (0.51) HTT
SCHEMBL26640445 0.70 MAPT (0.47) PNMTADRA2AADRA2BADRA2CTDP2
SCHEMBL1948887 0.68 ALDH1A1 (0.48) PNMTADRA2AADRA2BADRA2C
SCHEMBL27527421 0.68 PNMT (0.49) PNMTADRA2AADRA2BADRA2CTDP2
SCHEMBL26640744 0.68 PNMT (0.55) PNMTADRA2AADRA2BADRA2CTDP2
SCHEMBL20704061 0.68 HIF1A (0.38) HTT
SCHEMBL1952644 0.67 TDP2 (0.44) PNMTADRA2AADRA2BADRA2CTDP2
SCHEMBL28292428 0.67 PNMT (0.50) PNMTADRA2AADRA2BADRA2CTDP2
SCHEMBL6966089 0.66 PNMT (0.50) PNMTADRA2AADRA2BADRA2C
SCHEMBL28408084 0.66 DPP7 (0.46) PNMTADRA2AADRA2BADRA2CTDP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2168966-B1 BICYCLOANILINE DERIVATIVE MSD KK (JP) 2016-09-28 EP disclosed
US-8436004-B2 Bicycloaniline derivative MSD K.K. (JP) 2013-05-07 US disclosed
US-20110135601-A1 BICYCLOANILINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. 2011-06-09 US disclosed
EP-2168966-A1 BICYCLOANILINE DERIVATIVE Banyu Pharmaceutical Co., Ltd. (JP) 2010-03-31 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 (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-20110135601-A1 BICYCLOANILINE DERIVATIVE WEE1, WEE2, CCNK PNMT 4222/4885ADRA2A 1792/4885ADRA2B 2125/4885

“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.