SCHEMBL42610

SCHEMBL42610

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

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32

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
SCHEMBL965045 0.77
SCHEMBL2334377 0.76 TSHR (0.33) TSHR
SCHEMBL4721437 0.76 FFAR3 (0.33) TSHR
SCHEMBL497744 0.76 ALDH1A1 (0.33) TSHR
SCHEMBL967612 0.75 ALDH1A1 (0.30)
SCHEMBL15514628 0.75
SCHEMBL4234787 0.74 TSHR (0.32) TSHR
Hydrochloric Acid SCHEMBL329196 0.74 FFAR3 (0.32) TSHR
SCHEMBL42611 0.74 ALOX5 (0.37) TSHR
SCHEMBL329195 0.74 TSHR (0.36) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-20120022078-A1 ARYL INDOLE DERIVATIVES MSD K.K. (JP) 2012-01-26 US disclosed
US-7960383-B2 phosphodiesterase enzyme inhibitor; 4-[(3-chlorophenyl)amino]-2-ethyl-5-(1-hydroxyethyl)-6-phenylpyridazin-3(2H)-one; potent antiinflammatory agent; asthma, atopic dermatitis, psoriasis, chronic obstructive pulmonary disease, rheumatoid arthritis, irritable bowel disease LABORATORIOS ALMIRALL SA (ES) 2011-06-14 US disclosed
US-7875633-B2 4-[(4-Chlorobenzyl)oxy]-1-(4-[(1E)-3-(methylamino)-1-propen-1-yl]phenyl)pyridin-2(1H)-one; remedy for metabolic disorders such as obesity, diabetes, hormone disorder; cardiovascular disorders (stenocardia, acute or congestive heart failure); nervous system disorders (bulimia, anxiety, epilepsy etc.) BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-01-25 US disclosed
US-20110015198-A1 DIARYLMETHYLAMIDE DERIVATIVE HAVING MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISM BANYU PHARMACEUTICAL CO., INC. 2011-01-20 US disclosed
EP-2272841-A1 DIARYLMETHYLAMIDE DERIVATIVE HAVING ANTAGONISTIC ACTIVITY ON MELANIN-CONCENTRATING HORMONE RECEPTOR Banyu Pharmaceutical Co., Ltd. (JP) 2011-01-12 EP disclosed
US-20100324049-A1 DIARYL KETIMINE DERIVATIVE HAVING ANTAGONISM AGAINST MELANIN-CONCENTRATING HORMONE RECEPTOR MSD K.K. (JP) 2010-12-23 US disclosed
EP-1758869-B1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS ALMIRALL SA (ES) 2010-12-22 EP 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 (8 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 TSHR 231/4885
US-20100324049-A1 DIARYL KETIMINE DERIVATIVE HAVING ANTAGONISM AGAINST MELANIN-CONCENTRATING HORMONE RECEPTOR MC1R, MCHR1, MCHR2 TSHR 68/4885
US-20050222161-A1 Antagonists to melanin-concentrating hormone receptor comprising benzimidazole derivative as active ingredient MC1R, MCHR1, MCHR2 TSHR 37/4885
US-20030236267-A1 Benzimidazole derivatives OPRL1, GPR119, NPBWR1 TSHR 249/4885
US-20110015198-A1 DIARYLMETHYLAMIDE DERIVATIVE HAVING MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISM MC1R, MCHR2, MCHR1 TSHR 23/4885
US-20040044056-A1 Benzimidazole derivatives GPR119, OPRL1, INSR TSHR 239/4885
US-20120022078-A1 ARYL INDOLE DERIVATIVES IDO1, NAT1, IDO2 TSHR 352/4885
US-20150329540-A1 OCT3 ACTIVITY INHIBITOR CONTAINING IMIDAZOPYRIDINE DERIVATIVE AS ACTIVE COMPONENT, AND OCT3 DETECTION AGENT SLCO1B3, SLC22A8, SLCO4C1 TSHR 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.