SCHEMBL3974501

SCHEMBL3974501

CCC(CC)N1CCN(c2ccc(C(=O)N(C)c3ccccc3)cn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
KDM4E B2RXH2 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
HRH3 Q9Y5N1 2/20 0.46
MLNR O43193 1/20 0.45
P2RY12 Q9H244 2/20 0.43
OGA O60502 1/20 0.41
MEN1 O00255 2/20 0.41
OPRM1 P35372 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
PARP1 P09874 1/20 0.40
ME2 P23368 1/20 0.40
ME1 P48163 1/20 0.40
ME3 Q16798 1/20 0.40
SMO Q99835 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TSHR P16473 1/20 0.40

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
Hydrochloric Acid SCHEMBL3971594 0.99 KMT2A (0.45) KMT2AKDM4ENPC1RAB9AHRH3
SCHEMBL3976692 0.85 ALDH1A1 (0.44) KMT2AKDM4ENPC1RAB9AHRH3
Hydrochloric Acid SCHEMBL3967437 0.84 ALDH1A1 (0.43) KMT2AKDM4ENPC1RAB9AHRH3
SCHEMBL3972829 0.83 KMT2A (0.50) KMT2AKDM4ENPC1RAB9AHRH3
Hydrochloric Acid SCHEMBL4210131 0.82 KMT2A (0.49) KMT2AKDM4ENPC1RAB9AHRH3
SCHEMBL3974973 0.75 HPGD (0.62) KMT2AKDM4EHRH3MEN1L3MBTL1
SCHEMBL3975176 0.75 HRH3 (0.51) NPC1RAB9AHRH3OGAOPRM1
Hydrochloric Acid SCHEMBL3970928 0.74 HRH3 (0.52) NPC1RAB9AHRH3OGAOPRM1
Hydrochloric Acid SCHEMBL3972298 0.74 HPGD (0.61) KMT2AKDM4EHRH3MEN1L3MBTL1
SCHEMBL789607 0.73 TRPV1 (0.49) KMT2AKDM4ENPC1RAB9AMLNR

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-20090264435-A1 Novel Aryl- and Heteroarylpiperazines HIGH POINT PHARMACEUTICALS, LLC (US) 2009-10-22 US disclosed
US-20090264435-A1 Novel Aryl- and Heteroarylpiperazines HIGH POINT PHARMACEUTICALS, LLC (US) 2009-10-22 US disclosed
US-20090264435-A1 Novel Aryl- and Heteroarylpiperazines HIGH POINT PHARMACEUTICALS, LLC (US) 2009-10-22 US disclosed
US-20030236259-A1 Novel aryl- and heteroarylpiperazines HIGH POINT PHARMACEUTICALS, LLC 2003-12-25 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-20030236259-A1 Novel aryl- and heteroarylpiperazines HRH3, HRH2, HRH4 KMT2A 301/4885KDM4E 1574/4885NPC1 2195/4885
US-20090264435-A1 Novel Aryl- and Heteroarylpiperazines HRH3, HRH2, HRH4 KMT2A 301/4885KDM4E 1574/4885NPC1 2195/4885

“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.