SCHEMBL14554394

SCHEMBL14554394

COc1ccnc(-c2cc(C)ccn2)c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.80
CCR5 P51681 2/20 0.80
CCR8 P51685 2/20 0.80
NOS3 P29474 3/20 0.52
NOS1 P29475 3/20 0.52
NOS2 P35228 3/20 0.52
ABL1 P00519 1/20 0.50
BCR P11274 1/20 0.50
METAP2 P50579 1/20 0.49
PLAU P00749 1/20 0.47
ACHE P22303 1/20 0.47
UHRF1 Q96T88 1/20 0.45
CYP2A6 P11509 1/20 0.44
SYK P43405 4/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TP53 P04637 1/20 0.42
DYRK1A Q13627 1/20 0.42

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
SCHEMBL9014019 1.00 CCR1 (0.80) CCR1CCR5CCR8NOS3NOS1
SCHEMBL9014003 1.00 CCR1 (0.80) CCR1CCR5CCR8NOS3NOS1
SCHEMBL9131889 0.98 CCR1 (0.77) CCR1CCR5CCR8NOS3NOS1
Methane SCHEMBL21386756 0.98 CCR1 (0.77) CCR1CCR5CCR8NOS3NOS1
SCHEMBL8746044 0.98 CCR1 (0.77) CCR1CCR5CCR8NOS3NOS1
SCHEMBL9014363 0.90 CCR1 (0.65) CCR1CCR5CCR8NOS3NOS1
SCHEMBL29395249 0.89 CCR1 (1.00) CCR1CCR5CCR8NOS3NOS1
SCHEMBL182529 0.89 CCR1 (1.00) CCR1CCR5CCR8NOS3NOS1
SCHEMBL9135460 0.87 CCR1 (0.95) CCR1CCR5CCR8NOS3NOS1
Methane SCHEMBL21386924 0.87 CCR1 (0.95) CCR1CCR5CCR8NOS3NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023213035-A1 METHOD FOR PREPARING ARYL CARBON GLYCOSIDE COMPOUND INCLUDING GLIFLOZIN DRUG 四川大学 2023-11-09 WO disclosed
US-11773074-B2 Method for aerobic oxidative coupling of thiophenes with a ligand-supported palladium catalyst WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2023-10-03 US disclosed
US-20230125122-A1 NOVEL TRANSITION METAL ELECTRON TRANSFER COMPLEX HAVING C-N LIGAND AND ELECTROCHEMICAL BIO SENSOR USING SAME SOGANG UNIVERSITY RESEARCH & BUSINESS DEVELOPMENT FOUNDATION (KR) 2023-04-27 US disclosed
EP-2854948-B1 METAL-BASED THIOPHENE PHOTODYNAMIC COMPOUNDS AND THEIR USE MCFARLAND SHERRI ANN (CA) 2019-09-25 EP disclosed
EP-2726187-B1 COATED NANOPARTICLES UNIV BIRMINGHAM (GB) 2017-09-27 EP disclosed
US-9683004-B2 Coated nanoparticles THE UNIVERSITY OF BIRMINGHAM (GB) 2017-06-20 US disclosed
US-20160039854-A1 METAL-BASED COORDINATION COMPLEXES AS PHOTODYNAMIC COMPOUNDS AND THEIR USE MCFARLAND SHERRI ANN (CA) 2016-02-11 US disclosed
US-20140212497-A1 COATED NANOPARTICLES THE UNIVERSITY OF BIRMINGHAM (GB) 2014-07-31 US disclosed
WO-2013004989-A1 COATED NANOPARTICLES THE UNIVERSITY OF BIRMINGHAM (GB) 2013-01-10 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-11773074-B2 Method for aerobic oxidative coupling of thiophenes with a ligand-supported palladium catalyst PPOX, TST, COX6C CCR1 4491/4885CCR5 3876/4885CCR8 4771/4885
US-20140212497-A1 COATED NANOPARTICLES CD63, PICALM, NCLN CCR1 3339/4885CCR5 3314/4885CCR8 3599/4885
US-20160039854-A1 METAL-BASED COORDINATION COMPLEXES AS PHOTODYNAMIC COMPOUNDS AND THEIR USE PIN1, PPIF, PPOX CCR1 675/4885CCR5 1359/4885CCR8 2303/4885
US-20230125122-A1 NOVEL TRANSITION METAL ELECTRON TRANSFER COMPLEX HAVING C-N LIGAND AND ELECTROCHEMICAL BIO SENSOR USING SAME MB, CACYBP, SPR CCR1 1590/4885CCR5 884/4885CCR8 647/4885

“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.