SCHEMBL3465968

SCHEMBL3465968

NC(=O)CC[CH]c1cccnc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 4/20 0.49
MAPT P10636 3/20 0.49
RAB9A P51151 2/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPK1 P28482 2/20 0.49
NPC1 O15118 1/20 0.49
JUN P05412 1/20 0.49
NFKB1 P19838 1/20 0.49
GPR55 Q9Y2T6 1/20 0.49
RECQL P46063 1/20 0.45
F7 P08709 1/20 0.44
F3 P13726 1/20 0.44
SARM1 Q6SZW1 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.44
SIRT6 Q8N6T7 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
SIRT3 Q9NTG7 1/20 0.44
SIRT5 Q9NXA8 1/20 0.44
SIRT4 Q9Y6E7 1/20 0.44
PFKFB3 Q16875 1/20 0.43

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
SCHEMBL3465670 0.83 MAPT (0.51) TBXAS1MAPTRAB9AKDM4EMAPK1
SCHEMBL5329189 0.78 ALDH1A1 (0.41) TBXAS1MAPTKDM4ERECQLF3
SCHEMBL4043891 0.77 CYP11B2 (0.48) TBXAS1MAPTRAB9AKDM4EMAPK1
Nicotinaldehyde SCHEMBL28290769 0.77 MAPT (0.56) TBXAS1MAPTRAB9AKDM4EMAPK1
SCHEMBL8430953 0.77 CYP11B2 (0.48) TBXAS1MAPTRAB9AKDM4EMAPK1
SCHEMBL3092733 0.74 MAPT (0.58) MAPTRAB9AKDM4EMAPK1NPC1
SCHEMBL1515204 0.74 MAPT (0.53) TBXAS1MAPTRAB9AKDM4EMAPK1
SCHEMBL23992178 0.73 TBXAS1 (0.60) TBXAS1MAPTRAB9AKDM4EMAPK1
SCHEMBL3466287 0.73 FPR2 (0.36) TBXAS1NPC1ALDH1A1
SCHEMBL14152431 0.73 MAPT (0.45) TBXAS1MAPTRAB9AKDM4EMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2346868-B1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2016-01-27 EP disclosed
EP-2297112-B1 PYRAZOLE COMPOUNDS AS CCR1 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2013-04-03 EP disclosed
US-8338610-B2 Pyridinyl compounds useful as intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-25 US disclosed
US-8293917-B2 Pyrazole compounds as CCR1 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-23 US disclosed
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-31 US disclosed
US-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US disclosed
WO-2009137338-A1 PYRAZOLE COMPOUNDS AS CCR1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-11-12 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 (2 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-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 TBXAS1 983/4885MAPT 4650/4885RAB9A 2908/4885
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates CCR1, CCRL2, CCR4 TBXAS1 77/4885MAPT 4278/4885RAB9A 2271/4885

“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.