SCHEMBL42771

SCHEMBL42771

CC(C)(C)N(C([NH])=O)C(C)(C)C

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL965804 0.73
SCHEMBL19473677 0.72 ALDH1A1 (0.33) ALDH1A1TSHR
SCHEMBL12083929 0.71 ALDH1A1 (0.35) ALDH1A1TSHR
SCHEMBL2331497 0.69 ALDH1A1 (0.32) ALDH1A1TSHR
SCHEMBL497097 0.69 TSHR (0.39) ALDH1A1TSHR
SCHEMBL74603 0.69 LMNA (0.33) ALDH1A1TSHR
SCHEMBL8101247 0.67 MEN1 (0.33) ALDH1A1TSHR
SCHEMBL3063397 0.67 ALDH1A1 (0.30) ALDH1A1TSHR
SCHEMBL498108 0.67 ALDH1A1 (0.30) ALDH1A1TSHR
SCHEMBL42772 0.67 LMNA (0.35) ALDH1A1TSHR

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 87 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160122337-A1 2-HETEROARYL CARBOXAMIDES BAYER HEALTHCARE AG (DE) 2016-05-05 US disclosed
US-20150329540-A1 OCT3 ACTIVITY INHIBITOR CONTAINING IMIDAZOPYRIDINE DERIVATIVE AS ACTIVE COMPONENT, AND OCT3 DETECTION AGENT SHIN NIPPON BIOMEDICAL LABORATORIES, LTD. (JP) 2015-11-19 US disclosed
US-9067931-B2 2-heteroaryl carboxamides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-30 US disclosed
US-20140350008-A1 2-HETEROARYL CARBOXAMIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-11-27 US disclosed
US-20120258964-A1 2-HETEROARYL CARBOXAMIDES BAYER SCHERING PHARMA AG (DE) 2012-10-11 US disclosed
EP-2448921-A1 ARYL INDOLE DERIVATIVES MSD K.K. (JP) 2012-05-09 EP disclosed
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
EP-2419408-A1 3-ARYL OR HETEROARYL-SUBSTITUTED INDOLE DERIVATIVE MSD K.K. (JP) 2012-02-22 EP disclosed
US-20120028990-A1 3 ARYL OR HETEROARYL-SUBSTITUTED INDOLE DERIVATIVE MSD K.K 2012-02-02 US disclosed
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-01-26 US disclosed
EP-1595867-A1 MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISTS CONTAINING PIPERIDINE DERIVATIVES AS THE ACTIVE INGREDIENT BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-16 EP disclosed
US-20050222161-A1 Antagonists to melanin-concentrating hormone receptor comprising benzimidazole derivative as active ingredient BANYU PHARMACEUTICAL CO., LTD (JP) 2005-10-06 US disclosed
EP-1575926-A1 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES Almirall Prodesfarma, S.A. (ES) 2005-09-21 EP disclosed
EP-1553089-A1 ANTAGONIST OF MELANIN-CONCENTRATING HORMONE RECEPTOR COMPRISING BENZIMIDAZOLE DERIVATIVE AS ACTIVE INGREDIENT BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-07-13 EP disclosed
WO-2005049581-A1 PYRIDAZIN-3 (2H) -ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS ALMIRALL PRODESFARMA, S.A. (ES) 2005-06-02 WO disclosed
EP-1505063-A1 BENZIMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-02-09 EP disclosed
WO-2004058729-A1 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES ALMIRALL PRODESFARMA SA (ES) 2004-07-15 WO disclosed
US-20040044056-A1 Benzimidazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-03-04 US disclosed
US-20030236267-A1 Benzimidazole derivatives MSD K.K. (JP) 2003-12-25 US disclosed
EP-1342717-A1 BENZIMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-09-10 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 (10 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-20120028990-A1 3 ARYL OR HETEROARYL-SUBSTITUTED INDOLE DERIVATIVE IDO1, TPH1, AHR ALDH1A1 2066/4885TSHR 231/4885
US-20140350008-A1 2-HETEROARYL CARBOXAMIDES GRIN2A, CNR2, GRIN2C ALDH1A1 2755/4885TSHR 4355/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI ALDH1A1 596/4885TSHR 4648/4885
US-20120258964-A1 2-HETEROARYL CARBOXAMIDES GRIN2A, CNR2, GRIN2C ALDH1A1 2755/4885TSHR 4355/4885
US-20050222161-A1 Antagonists to melanin-concentrating hormone receptor comprising benzimidazole derivative as active ingredient MC1R, MCHR1, MCHR2 ALDH1A1 431/4885TSHR 37/4885
US-20160122337-A1 2-HETEROARYL CARBOXAMIDES GRIN2A, CNR2, GRIN2C ALDH1A1 2755/4885TSHR 4355/4885
US-20030236267-A1 Benzimidazole derivatives OPRL1, GPR119, NPBWR1 ALDH1A1 1636/4885TSHR 249/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 ALDH1A1 750/4885TSHR 4089/4885
US-20040044056-A1 Benzimidazole derivatives GPR119, OPRL1, INSR ALDH1A1 1851/4885TSHR 239/4885
US-20150329540-A1 OCT3 ACTIVITY INHIBITOR CONTAINING IMIDAZOPYRIDINE DERIVATIVE AS ACTIVE COMPONENT, AND OCT3 DETECTION AGENT SLCO1B3, SLC22A8, SLCO4C1 ALDH1A1 879/4885TSHR 1991/4885

“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.