Sugi Predict

Sugi Predict / Compounds / SCHEMBL761722

SCHEMBL761722

SCHEMBL761722

N#CC1(c2ccccn2)CCN(C(=O)O)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCA P17252 1/20 0.51
▸ PTPN2 P17706 1/20 0.51
▸ HTR7 P34969 1/20 0.51
▸ ADRA1A P35348 3/20 0.48
▸ SPR P35270 1/20 0.46
▸ HSD11B1 P28845 3/20 0.44
▸ CA12 O43570 2/20 0.44
▸ CA1 P00915 2/20 0.44
▸ CA2 P00918 2/20 0.44
▸ CA9 Q16790 2/20 0.44
▸ F11 P03951 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ CA14 Q9ULX7 1/20 0.42
▸ CHRM1 P11229 1/20 0.42
▸ KCNH2 Q12809 1/20 0.40
▸ OPRM1 P35372 1/20 0.40
▸ OPRD1 P41143 1/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ OPRL1 P41146 1/20 0.40
▸ CCR1 P32246 1/20 0.40

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
SCHEMBL18711876 0.88 ALDH1A1 (0.53) PRKCAPTPN2HTR7ADRA1ASPR
SCHEMBL3894380 0.86 PRKCA (0.43) PRKCAPTPN2HTR7ADRA1ASPR
SCHEMBL18702094 0.84 ADRA1A (0.48) PRKCAPTPN2HTR7ADRA1ASPR
SCHEMBL19253064 0.83 HSD11B1 (0.44) PRKCAPTPN2HTR7ADRA1ASPR
SCHEMBL23778438 0.82 HRH3 (0.43) PRKCAPTPN2HTR7ADRA1AHSD11B1
SCHEMBL760836 0.81 JAK2 (0.50) PRKCAPTPN2HTR7ADRA1ASPR
SCHEMBL30017613 0.81 JAK2 (0.50) PRKCAPTPN2HTR7ADRA1ASPR
SCHEMBL11963149 0.80 KDM4E (0.38) PRKCAPTPN2HTR7ADRA1ACA12
SCHEMBL30419444 0.80 HSD11B1 (0.43) PRKCAPTPN2HTR7ADRA1ASPR
SCHEMBL7157630 0.80 HSD11B1 (0.43) PRKCAPTPN2HTR7ADRA1ASPR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1729772-B1 HETEROARYL PIPERIDINE GLYCINE TRANSPORTER INHIBITORS MERCK SHARP & DOHME (US) 2016-12-07 — — EP disclosed
US-8383638-B2 Aminobenzoquinazolinone M1 receptor positive allosteric modulators MERCK SHARP & DOHME (US) 2013-02-26 — — US disclosed
EP-2515656-A1 AMINOBENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS Merck Sharp & Dohme Corp. (US) 2012-10-31 — — EP disclosed
US-20120264761-A1 Aminobenzoquinazolinone M1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME LLC 2012-10-18 — — US disclosed
EP-1942733-B1 RADIOLABELED GLYCINE TRANSPORTER INHIBITORS MERCK SHARP & DOHME (US) 2012-03-21 — — EP disclosed
WO-2011084371-A1 AMINOBENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 — — WO disclosed
US-7834031-B2 Radiolabeled glycine transporter inhibitors MERCK SHARP & DOHME CORP. (US) 2010-11-16 — — US disclosed
US-7825135-B2 Heteroaryl piperidine glycine transporter inhibitors MERCK SHARP & DOHME LIMITED (GB) 2010-11-02 — — US disclosed
US-20090269278-A1 Radiolabeled Glycine Trasporter Inhibitors MERCK SHARP & DOHME LLC 2009-10-29 — — US disclosed
EP-1729772-A4 HETEROARYL PIPERIDINE GLYCINE TRANSPORTER INHIBITORS MERCK & CO INC (US) 2009-05-27 — — EP disclosed
EP-1942733-A2 RADIOLABELED GLYCINE TRANSPORTER INHIBITORS Merck & Co., Inc. (US) 2008-07-16 — — EP disclosed
US-20070254880-A1 Heteroaryl Piperidine Glycine Transporter Inhibitors MERCK SHARP & DOHME LLC 2007-11-01 — — US disclosed
US-20070135423-A1 E-fluoro-4-(pyridin-2-yl)-piperidine-1-carboxamide derivatives and related compounds which modulate the function of the vanilloid-1 receptor (vr1) for the treatment of pain MERCK SHARP & DOHME LTD. (GB) 2007-06-14 — — US disclosed
WO-2007041025-A2 RADIOLABELED GLYCINE TRANSPORTER INHIBITORS MERCK & CO., INC. (US) 2007-04-12 — — WO disclosed
EP-1729772-A2 HETEROARYL PIPERIDINE GLYCINE TRANSPORTER INHIBITORS Merck and Co., Inc. (US) 2006-12-13 — — EP disclosed
WO-2005094514-A2 HETEROARYL PIPERIDINE GLYCINE TRANSPORTER INHIBITORS MERCK & CO., INC. (US) 2005-10-13 — — WO 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 (4 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-20120264761-A1 Aminobenzoquinazolinone M1 Receptor Positive Allosteric Modulators CHRM1, OPRL1, MTNR1B PRKCA 1447/4885PTPN2 1775/4885HTR7 175/4885
US-20090269278-A1 Radiolabeled Glycine Trasporter Inhibitors SLC6A5, SLC1A5, SLC1A3 PRKCA 4785/4885PTPN2 4670/4885HTR7 855/4885
US-20070254880-A1 Heteroaryl Piperidine Glycine Transporter Inhibitors SLC1A2, SLC1A1, SLC1A3 PRKCA 4246/4885PTPN2 3577/4885HTR7 254/4885
US-20070135423-A1 E-fluoro-4-(pyridin-2-yl)-piperidine-1-carboxamide derivatives and related compounds which modulate the function of the vanilloid-1 receptor (vr1) for the treatment of pain OPRL1, HVCN1, TRPV1 PRKCA 3700/4885PTPN2 3164/4885HTR7 419/4885

“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.