SCHEMBL595697

SCHEMBL595697

COC(=O)C(C)(C)CC1CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.39
ITGB3 P05106 3/20 0.37
ITGA2B P08514 3/20 0.37
TSHR P16473 1/20 0.37
SLC6A1 P30531 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRB2 P47870 2/20 0.36
SLC6A12 P48065 2/20 0.36
SLC6A11 P48066 2/20 0.36
SLC6A13 Q9NSD5 2/20 0.36
GABRA1 P14867 1/20 0.36
GABRR1 P24046 1/20 0.36
GABRA4 P48169 1/20 0.36
EPHX1 P07099 2/20 0.35
CPN1 P15169 1/20 0.35
CPB2 Q96IY4 1/20 0.35
TPSAB1 Q15661 2/20 0.35
TPSD1 Q9BZJ3 2/20 0.35
TPSG1 Q9NRR2 2/20 0.35
SSTR1 P30872 1/20 0.35

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
Hydrochloric Acid SCHEMBL3160421 0.98 ALOX15 (0.38) ALOX15ITGB3ITGA2BTSHRSLC6A1
SCHEMBL9939580 0.88 THRA (0.40) SMN1; SMN2
SCHEMBL10681272 0.83 MMP1 (0.41) EPHX1ALDH1A1
SCHEMBL30016965 0.81 THRA (0.36) EPHX1
SCHEMBL13406395 0.81 GABRA5 (0.47) ALOX15ITGB3ITGA2BTSHRSLC6A1
SCHEMBL27528169 0.77 ALOX15 (0.36) ALOX15ITGB3ITGA2BTSHRSLC6A1
SCHEMBL3169200 0.76 SMN1; SMN2 (0.36) ITGB3ITGA2BALDH1A1SMN1; SMN2
SCHEMBL20428868 0.76 ALOX15 (0.31) ALOX15SSTR1SSTR4
SCHEMBL14127608 0.75 SSTR4 (0.39) ALOX15TSHRGABRA5GABRB2GABRA1
SCHEMBL29213880 0.75 CPN1 (0.41) ALOX15ITGB3ITGA2BTSHRSLC6A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153644-B2 Diacylglycerol acyltransferase inhibitors MADRIGAL PHARMACEUTICALS, INC. (US) 2012-04-10 US disclosed
US-8115011-B2 (S)-3-{5-[(1-Pyridin-2-yl-3-trifluoromethyl-1H-pyrazole-4-carbonyl)-amino]-pyridin-2-ylamino}-pyrrolidine-1-carboxylic acid ethyl ester; obesity, type II diabetes mellitus and metabolic syndrome MADRIGAL PHARMACEUTICALS, INC. (US) 2012-02-14 US disclosed
US-8058299-B2 Diacylglycerol acyltransferase inhibitors VIA PHARMACEUTICALS, INC. (US) 2011-11-15 US disclosed
US-7700591-B2 Benzoxazinyl-amidocyclopentyl-heterocyclic modulators of chemokine receptors MERCK & CO., INC. (US) 2010-04-20 US disclosed
US-7700591-B2 Benzoxazinyl-amidocyclopentyl-heterocyclic modulators of chemokine receptors MERCK & CO., INC. (US) 2010-04-20 US disclosed
EP-1615699-B1 BENZOXAZINYL-AMIDOCYCLOPENTYL-HETEROCYCLIC MODULATORS OF CHEMOKINE RECEPTORS MERCK SHARP & DOHME (US) 2010-03-24 EP disclosed
EP-2155687-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS Via Pharmaceuticals, Inc. (US) 2010-02-24 EP disclosed
US-20090170864-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-07-02 US disclosed
US-20090105273-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-04-23 US disclosed
US-20090099201-A1 Diacylglycerol Acyltransferase Inhibitors VIA PHARMACEUTICALS, INC. 2009-04-16 US disclosed
US-20090093497-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-04-09 US disclosed
WO-2008141976-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC. (US) 2008-11-27 WO disclosed
US-20070238723-A1 Benzoxazinyl-amidocyclopentyl-heterocyclic modulators of chemokine receptors GOBLE STEPHEN D 2007-10-11 US disclosed
US-20070238723-A1 Benzoxazinyl-amidocyclopentyl-heterocyclic modulators of chemokine receptors GOBLE STEPHEN D 2007-10-11 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-20090093497-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT ALOX15 325/4885ITGB3 3962/4885ITGA2B 2679/4885
US-20090170864-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT ALOX15 325/4885ITGB3 3962/4885ITGA2B 2679/4885
US-20090099201-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT ALOX15 325/4885ITGB3 3962/4885ITGA2B 2679/4885
US-20070238723-A1 Benzoxazinyl-amidocyclopentyl-heterocyclic modulators of chemokine receptors CCR1, CCR2, CCRL2 ALOX15 287/4885ITGB3 2557/4885ITGA2B 1670/4885
US-20090105273-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT ALOX15 325/4885ITGB3 3962/4885ITGA2B 2679/4885

“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.