SCHEMBL10205143

SCHEMBL10205143

CC(C)(C)N1CCC(C(=O)N2CCC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.55
HTT P42858 1/20 0.53
LMNA P02545 1/20 0.51
ALDH1A1 P00352 4/20 0.50
TSHR P16473 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
RECQL P46063 1/20 0.44
CNR2 P34972 2/20 0.43
HSD11B1 P28845 2/20 0.43
CHRNB2 P17787 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42
CHRNB3 Q05901 1/20 0.42
CHRNA6 Q15825 1/20 0.42
TP53 P04637 1/20 0.41

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
SCHEMBL20746951 0.96 HPGD (0.61) HPGDHTTLMNAALDH1A1TSHR
SCHEMBL19001381 0.94 HPGD (0.64) HPGDHTTLMNAALDH1A1TSHR
SCHEMBL25143661 0.90 ALDH1A1 (0.52) HPGDHTTLMNAALDH1A1TSHR
SCHEMBL21569648 0.87 LMNA (0.47) HPGDHTTLMNAALDH1A1TSHR
SCHEMBL12139863 0.85 HTT (0.59) HPGDHTTLMNAALDH1A1TSHR
SCHEMBL2146181 0.85 HPGD (0.52) HPGDHTTLMNAALDH1A1TSHR
SCHEMBL2146177 0.85 HPGD (0.52) HPGDHTTLMNAALDH1A1TSHR
SCHEMBL17589234 0.85 ALDH1A1 (0.61) HPGDHTTLMNAALDH1A1TSHR
SCHEMBL10131854 0.84 HPGD (0.54) HPGDHTTLMNAALDH1A1TSHR
SCHEMBL17282134 0.84 CHRNB2 (0.67) HPGDHTTLMNAALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170305922-A1 CARM1 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-10-26 US disclosed
US-20120010185-A1 NEW PYRIDONE DERIVATES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-12 US disclosed
US-8067590-B2 Melanin-concentrating hormone (MCH) receptor antagonists; treating obesity, eating disorders, affective disorders, drug dependency; compounds are amino-functional pyridazin-3-one, 1H-pyridin-2-one or 3H-pyrimidin-4-one BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-29 US disclosed
US-20100197908-A1 Pyridazine Derivatives with MCH Antagonistic Activity and Medicaments Comprising These Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-05 US disclosed
US-20080255083-A1 NEW PYRIDONE DERIVATES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-16 US disclosed
US-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds ROTH GERALD J 2007-05-17 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 (5 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-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, GPR119, MCHR2 HPGD 3220/4885HTT 582/4885LMNA 4192/4885
US-20120010185-A1 NEW PYRIDONE DERIVATES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS MCHR1, MCHR2, GPR119 HPGD 1258/4885HTT 2568/4885LMNA 2295/4885
US-20170305922-A1 CARM1 INHIBITORS AND USES THEREOF CARM1, ADRM1, PRMT1 HPGD 4411/4885HTT 3386/4885LMNA 2796/4885
US-20100197908-A1 Pyridazine Derivatives with MCH Antagonistic Activity and Medicaments Comprising These Compounds MCHR1, MCHR2, MC5R HPGD 1286/4885HTT 1601/4885LMNA 3552/4885
US-20080255083-A1 NEW PYRIDONE DERIVATES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS MCHR1, MCHR2, GPR119 HPGD 1258/4885HTT 2568/4885LMNA 2295/4885

“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.