SCHEMBL7015186

SCHEMBL7015186

OCC1(c2cccnc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 6/20 0.44
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 5/20 0.40
LMNA P02545 2/20 0.40
OPRM1 P35372 2/20 0.38
OPRL1 P41146 2/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
VNN1 O95497 1/20 0.38
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL12473639 0.93 P2RX7 (0.48) P2RX7CHRM2CHRM4CHRM5CHRM1
SCHEMBL22629812 0.82 P2RX7 (0.38) P2RX7CHRM2CHRM4CHRM5CHRM1
SCHEMBL3441634 0.82 ALDH1A1 (0.52) P2RX7CHRM2MEN1KMT2AALDH1A1
SCHEMBL16198410 0.81 MAOA (0.59) P2RX7OPRL1SLC6A2SLC6A4
SCHEMBL20087030 0.81 ALDH1A1 (0.44) P2RX7CHRM2CHRM4CHRM5CHRM1
SCHEMBL702465 0.80 ALDH1A1 (0.57) CHRM2MEN1KMT2AALDH1A1LMNA
SCHEMBL7011113 0.78 CHRNA7 (0.43) P2RX7MEN1KMT2AOPRM1OPRL1
SCHEMBL25769266 0.78 P2RX7 (0.42) P2RX7CHRM2CHRM4CHRM5CHRM1
SCHEMBL7015077 0.77 P2RX7 (0.39) P2RX7CHRM2CHRM4CHRM5CHRM1
SCHEMBL3949741 0.75 HSD11B1 (0.40) LMNASLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190307735-A1 Composition and Methods for Treating Chronic Kidney Disease MERCK SHARP & DOHME CORP (US) 2019-10-10 US disclosed
US-20190307735-A1 Composition and Methods for Treating Chronic Kidney Disease MERCK SHARP & DOHME CORP (US) 2019-10-10 US disclosed
US-20180110762-A1 Compositions Methods for Treating Chronic Kidney Disease MERCK SHARP & DOHME CORP (US) 2018-04-26 US disclosed
US-20180110762-A1 Compositions Methods for Treating Chronic Kidney Disease MERCK SHARP & DOHME CORP (US) 2018-04-26 US disclosed
US-20180110762-A1 Compositions Methods for Treating Chronic Kidney Disease MERCK SHARP & DOHME CORP (US) 2018-04-26 US disclosed
EP-3273965-A1 COMPOSITION AND METHODS FOR TREATING CHRONIC KIDNEY DISEASE Merck Sharp & Dohme Corp. (US) 2018-01-31 EP disclosed
WO-2016154369-A1 COMPOSITION AND METHODS FOR TREATING CHRONIC KIDNEY DISEASE MERCK SHARP & DOHME CORP. (US) 2016-09-29 WO disclosed
WO-2016154369-A1 COMPOSITION AND METHODS FOR TREATING CHRONIC KIDNEY DISEASE MERCK SHARP & DOHME CORP. (US) 2016-09-29 WO disclosed
EP-1252162-A4 ALPHA V INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2003-06-11 EP disclosed
EP-1252162-A1 ALPHA V INTEGRIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2002-10-30 EP disclosed
US-6472403-B2 IMIDAZOLIDIN-2-ONE DERIVATIVES; INHIBITING BONE RESORPTION, VASCULAR RESTENOSIS, DIABETIC RETINOPATHY, MACULAR DEGENERATION, ANGIOGENESIS, ATHEROSCLEROSIS, INFLAMMATION, ARTHRITIS, VIRAL DISEASE, CANCER AND METASTATIC TUMOR GROWTH MERCK & CO., INC. 2002-10-29 US disclosed
US-20020037889-A1 Alpha V integrin receptor antagonists MERCK SHARP & DOHME CORP. 2002-03-28 US disclosed
WO-2001053297-A1 ALPHA V INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2001-07-26 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 (3 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-20180110762-A1 Compositions Methods for Treating Chronic Kidney Disease ITGAM, ITGAL, ITGB1 P2RX7 1227/4885CHRM2 1439/4885CHRM4 2697/4885
US-20190307735-A1 Composition and Methods for Treating Chronic Kidney Disease ITGAM, ITGB1, ITGB2 P2RX7 1083/4885CHRM2 1279/4885CHRM4 2355/4885
US-20020037889-A1 Alpha V integrin receptor antagonists ITGAV, ITGB3, ITGA5 P2RX7 880/4885CHRM2 989/4885CHRM4 1441/4885

“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.