SCHEMBL3342956

SCHEMBL3342956

Cc1ccc(-c2ccc(C)c(N)c2)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.52
CCR1 P32246 1/20 0.52
CCR5 P51681 1/20 0.52
CCR8 P51685 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
ALDH1A1 P00352 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
CYP3A4 P08684 2/20 0.46
CYP2A6 P11509 1/20 0.46
NOS3 P29474 2/20 0.44
NOS2 P35228 2/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
PKM P14618 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KDM1A O60341 3/20 0.41
NTRK1 P04629 1/20 0.41
CASP1 P29466 1/20 0.41

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
SCHEMBL16542435 0.83 CCR1 (0.58) CCR1CCR5CCR8HDAC6CYP3A4
SCHEMBL30470933 0.83 CCR1 (0.58) CCR1CCR5CCR8HDAC6CYP3A4
SCHEMBL30955282 0.83 CYP3A4 (0.53) CYP11B1ALDH1A1TDP1CYP3A4NPC1
SCHEMBL3466792 0.81 CYP11B1 (0.49) CYP11B1CYP3A4NPC1RAB9APKM
SCHEMBL27436328 0.80 CYP11B1 (0.48) CYP11B1ALDH1A1TDP1CYP3A4NPC1
SCHEMBL27436349 0.80 ALDH1A1 (0.56) CCR1CCR5CCR8HDAC6ALDH1A1
SCHEMBL30955276 0.80 ALDH1A1 (0.56) CCR1CCR5CCR8HDAC6ALDH1A1
SCHEMBL30935516 0.80 S1PR1 (0.46) NPC1RAB9APKMTP53MAPT
SCHEMBL3467724 0.79 CYP11B1 (0.47) CYP11B1ALDH1A1NPC1RAB9APKM
SCHEMBL3342851 0.79 CYP11B1 (0.46) CYP11B1ALDH1A1TDP1CYP3A4NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4638441-A1 GLYCINE DERIVATIVES WITH P2X4 RECEPTOR-BLOCKING ACTIVITY AS DIAGNOSTICS AND FOR THE TREATMENT OF PAIN, INFLAMMATION, CANCER, AND OTHER P2X4 RECEPTOR-RELATED DISEASES Rheinische Friedrich-Wilhelms-Universität Bonn (DE) 2025-10-29 EP disclosed
WO-2024133499-A1 GLYCINE DERIVATIVES WITH P2X4 RECEPTOR-BLOCKING ACTIVITY AS DIAGNOSTICS AND FOR THE TREATMENT OF PAIN, INFLAMMATION, CANCER, AND OTHER P2X4 RECEPTOR-RELATED DISEASES RHEINISCHE-FRIEDRICH-WILHELMS-UNIVERSITÄT BONN (DE) 2024-06-27 WO disclosed
WO-2024133499-A1 GLYCINE DERIVATIVES WITH P2X4 RECEPTOR-BLOCKING ACTIVITY AS DIAGNOSTICS AND FOR THE TREATMENT OF PAIN, INFLAMMATION, CANCER, AND OTHER P2X4 RECEPTOR-RELATED DISEASES RHEINISCHE-FRIEDRICH-WILHELMS-UNIVERSITÄT BONN (DE) 2024-06-27 WO disclosed
US-20100160384-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 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 (1 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-20100160384-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX6, P2RX3 CYP11B1 2431/4885CCR1 1724/4885CCR5 1380/4885

“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.