SCHEMBL3976692

SCHEMBL3976692

CCC(CC)N1CCN(c2ccc(C(=O)N(C)Cc3ccccc3)cn2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
RAB9A P51151 3/20 0.44
KMT2A Q03164 3/20 0.44
TSHR P16473 3/20 0.44
KDM4E B2RXH2 2/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 2/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HRH3 Q9Y5N1 2/20 0.44
MEN1 O00255 2/20 0.43
ME2 P23368 2/20 0.43
ME1 P48163 2/20 0.43
ME3 Q16798 2/20 0.43
SMO Q99835 2/20 0.43
TP53 P04637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
MAPT P10636 1/20 0.42
OGA O60502 1/20 0.42

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 SCHEMBL3967437 0.99 ALDH1A1 (0.43) ALDH1A1RAB9AKMT2ATSHRKDM4E
SCHEMBL3974501 0.85 KMT2A (0.46) RAB9AKMT2ATSHRKDM4ENPC1
Hydrochloric Acid SCHEMBL3971594 0.84 KMT2A (0.45) RAB9AKMT2AKDM4ENPC1HRH3
SCHEMBL3972829 0.81 KMT2A (0.50) ALDH1A1RAB9AKMT2ATSHRKDM4E
Hydrochloric Acid SCHEMBL4210131 0.80 KMT2A (0.49) ALDH1A1RAB9AKMT2ATSHRKDM4E
SCHEMBL3974973 0.73 HPGD (0.62) ALDH1A1KMT2AKDM4EHSD17B10HRH3
SCHEMBL3975176 0.73 HRH3 (0.51) RAB9ALMNASMN1; SMN2NPC1HRH3
Hydrochloric Acid SCHEMBL3970928 0.73 HRH3 (0.52) RAB9ALMNASMN1; SMN2NPC1HRH3
Hydrochloric Acid SCHEMBL3972298 0.73 HPGD (0.61) ALDH1A1KMT2AKDM4EHSD17B10HRH3
SCHEMBL1135316 0.71 KMT2A (0.57) ALDH1A1RAB9AKMT2ATSHRLMNA

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 ALDH1A1 2719/4885RAB9A 3350/4885KMT2A 301/4885
US-20090264435-A1 Novel Aryl- and Heteroarylpiperazines HRH3, HRH2, HRH4 ALDH1A1 2719/4885RAB9A 3350/4885KMT2A 301/4885

“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.