SCHEMBL313321

SCHEMBL313321

[CH2]c1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)oc2C(F)(F)F)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.57
KDM4E B2RXH2 3/20 0.57
MCHR1 Q99705 1/20 0.53
DGAT1 O75907 1/20 0.47
SMO Q99835 1/20 0.45
P2RX1 P51575 2/20 0.44
P2RX4 Q99571 1/20 0.44
P2RX7 Q99572 1/20 0.44
TMPRSS4 Q9NRS4 1/20 0.44
PTPN1 P18031 1/20 0.44
LMNA P02545 2/20 0.42
TP53 P04637 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
POLB P06746 1/20 0.42
HTR1A P08908 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CNR1 P21554 1/20 0.41
DRD1 P21728 1/20 0.41
HTR2A P28223 1/20 0.41
ADORA2A P29274 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
SCHEMBL898265 0.85 P2RX1 (0.57) MAPTKDM4EMCHR1P2RX1P2RX4
SCHEMBL14927284 0.85 KDM4E (0.55) MAPTKDM4EMCHR1DGAT1SMO
SCHEMBL14927282 0.84 KDM4E (0.57) MAPTKDM4EMCHR1DGAT1P2RX1
SCHEMBL898601 0.81 KDM4E (0.52) MAPTKDM4EMCHR1DGAT1P2RX1
SCHEMBL16171175 0.80 KDM4E (0.54) MAPTKDM4EMCHR1P2RX1P2RX4
SCHEMBL14927279 0.80 KDM4E (0.54) MAPTKDM4EMCHR1DGAT1P2RX1
SCHEMBL3328403 0.78 MCHR1 (0.52) MAPTKDM4EMCHR1NPC1RAB9A
SCHEMBL3627202 0.78 MCHR1 (0.52) MAPTKDM4EMCHR1DGAT1P2RX1
SCHEMBL2063655 0.77 NPC1 (0.61) MAPTKDM4EMCHR1TP53NPC1
SCHEMBL892196 0.77 MCHR1 (0.54) MAPTKDM4EMCHR1NPC1RAB9A

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
US-8168829-B2 Synthesis of quaternary salt compounds JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-01 US disclosed
US-8093428-B2 Synthesis of quaternary salt compounds JANSSEN PHARMACEUTICA N.V. (BE) 2012-01-10 US disclosed
US-20090112003-A1 SYNTHESIS OF QUATERNARY SALT COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-30 US disclosed
US-20090112004-A1 SYNTHESIS OF QUATERNARY SALT COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-30 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-20090112003-A1 SYNTHESIS OF QUATERNARY SALT COMPOUNDS CCR2, CCR1, CCL11 MAPT 2532/4885KDM4E 1925/4885MCHR1 1093/4885
US-20090112004-A1 SYNTHESIS OF QUATERNARY SALT COMPOUNDS CCR2, CCR1, CCL11 MAPT 2532/4885KDM4E 1925/4885MCHR1 1093/4885

“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.