SCHEMBL3972829

SCHEMBL3972829

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
HRH3 Q9Y5N1 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
P2RY12 Q9H244 1/20 0.47
OGA O60502 2/20 0.45
MEN1 O00255 2/20 0.45
ME2 P23368 3/20 0.44
ME1 P48163 3/20 0.44
ME3 Q16798 3/20 0.44
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TP53 P04637 1/20 0.43
SMO Q99835 2/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 1/20 0.42
OPRM1 P35372 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 SCHEMBL4210131 0.99 KMT2A (0.49) KMT2AHRH3NPC1RAB9AP2RY12
SCHEMBL3975176 0.89 HRH3 (0.51) HRH3NPC1RAB9AOGAME2
Hydrochloric Acid SCHEMBL3970928 0.88 HRH3 (0.52) HRH3NPC1RAB9AOGAME2
SCHEMBL3974501 0.83 KMT2A (0.46) KMT2AHRH3NPC1RAB9AP2RY12
Hydrochloric Acid SCHEMBL3971594 0.82 KMT2A (0.45) KMT2AHRH3NPC1RAB9AP2RY12
SCHEMBL4198239 0.82 MEN1 (0.46) KMT2AHRH3MEN1ALDH1A1KDM4E
SCHEMBL3967830 0.82 ALDH1A1 (0.60) KMT2AHRH3NPC1RAB9AMEN1
SCHEMBL3976692 0.81 ALDH1A1 (0.44) KMT2AHRH3NPC1RAB9AP2RY12
Hydrochloric Acid SCHEMBL3970786 0.81 MEN1 (0.46) KMT2AHRH3MEN1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL3967645 0.81 ALDH1A1 (0.59) KMT2AHRH3NPC1RAB9AMEN1

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 6 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
EP-1474401-A2 NOVEL ARYL- AND HETEROARYLPIPERAZINES NOVO NORDISK A/S (DK) 2004-11-10 EP disclosed
US-20030236259-A1 Novel aryl- and heteroarylpiperazines HIGH POINT PHARMACEUTICALS, LLC 2003-12-25 US disclosed
WO-2003066604-A2 NOVEL ARYL- AND HETEROARYLPIPERAZINES NOVO NORDISK A/S (DK) 2003-08-14 WO 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 301/4885HRH3 1/4885NPC1 2195/4885
US-20090264435-A1 Novel Aryl- and Heteroarylpiperazines HRH3, HRH2, HRH4 KMT2A 301/4885HRH3 1/4885NPC1 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.