SCHEMBL21241289

SCHEMBL21241289

Cc1cccc(CC(=O)CCl)n1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
P2RX7 Q99572 1/20 0.42
RAB9A P51151 4/20 0.41
GRM5 P41594 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 3/20 0.39
CCR1 P32246 1/20 0.38
CCR8 P51685 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
ADORA2A P29274 1/20 0.36

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
SCHEMBL29684288 0.79 KMT2A (0.53) KMT2AMEN1OPRM1OPRD1P2RX7
SCHEMBL869497 0.79 KMT2A (0.53) KMT2AMEN1OPRM1OPRD1P2RX7
SCHEMBL6900384 0.79 P2RX7 (0.46) KMT2AMEN1OPRM1OPRD1P2RX7
SCHEMBL29351319 0.78 P2RX7 (0.49) KMT2AMEN1OPRM1OPRD1P2RX7
SCHEMBL6510299 0.78 P2RX7 (0.49) KMT2AMEN1OPRM1OPRD1P2RX7
SCHEMBL28631700 0.76 KMT2A (0.47) KMT2AMEN1OPRM1OPRD1P2RX7
SCHEMBL28857386 0.76 NPC1 (0.44) KMT2AMEN1RAB9AGRM5SMN1; SMN2
SCHEMBL22250454 0.75 P2RX7 (0.46) KMT2AMEN1OPRM1OPRD1P2RX7
SCHEMBL11235827 0.75 CYP1A2 (0.57) KMT2AMEN1OPRM1OPRD1P2RX7
SCHEMBL10381880 0.75 MEN1 (0.52) KMT2AMEN1OPRM1OPRD1P2RX7

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
WO-2019149260-A1 PYRIDAZINOL COMPOUND, DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF 青岛清原化合物有限公司 2019-08-08 WO disclosed
US-20130030001-A1 QUINUCLIDINE DERIVATIVES AS MUSCARINIC M3 RECEPTOR ANTAGONISTS PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2013-01-31 US disclosed
US-8329729-B2 Quinuclidine derivatives as muscarinic M3 receptor antagonists ASTRAZENECA AB (SE) 2012-12-11 US disclosed
US-20110172237-A1 QUINUCLIDINE DERIVATIVES AS MUSCARINIC M3 RECEPTOR ANTAGONISTS ASTRAZENECA UK LIMITED (GB) 2011-07-14 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 (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-20110172237-A1 QUINUCLIDINE DERIVATIVES AS MUSCARINIC M3 RECEPTOR ANTAGONISTS CHRM3, CHRM2, CHRM1 KMT2A 1666/4885MEN1 3425/4885OPRM1 50/4885
US-20130030001-A1 QUINUCLIDINE DERIVATIVES AS MUSCARINIC M3 RECEPTOR ANTAGONISTS CHRM3, CHRM2, CHRM5 KMT2A 1780/4885MEN1 1667/4885OPRM1 43/4885

“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.