SCHEMBL3972329

SCHEMBL3972329

CCC(CC)N1CCN(c2ccc(C(=O)c3ccc(F)cc3)cc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.65
RAB9A P51151 3/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
TP53 P04637 2/20 0.65
LMNA P02545 2/20 0.65
ALDH1A1 P00352 4/20 0.61
MAPT P10636 4/20 0.61
HPGD P15428 3/20 0.61
TSHR P16473 2/20 0.61
CASP1 P29466 2/20 0.61
NPSR1 Q6W5P4 2/20 0.61
KDM4E B2RXH2 1/20 0.61
MAPK1 P28482 1/20 0.61
CASP7 P55210 1/20 0.61
HRH3 Q9Y5N1 2/20 0.57
HSD17B10 Q99714 1/20 0.55
RAD52 P43351 1/20 0.53
ABCB1 P08183 5/20 0.51
HTT P42858 1/20 0.49
HSP90AA1 P07900 1/20 0.47

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 SCHEMBL3965457 0.99 NPC1 (0.63) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL3978162 0.87 MAPT (0.54) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL3967830 0.87 ALDH1A1 (0.60) NPC1RAB9ASMN1; SMN2TP53LMNA
Hydrochloric Acid SCHEMBL3967645 0.86 ALDH1A1 (0.59) NPC1RAB9ASMN1; SMN2TP53LMNA
Hydrochloric Acid SCHEMBL3970961 0.86 MAPT (0.53) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL3974785 0.84 HRH3 (0.53) NPC1RAB9ASMN1; SMN2TP53LMNA
Hydrochloric Acid SCHEMBL3977941 0.83 HRH3 (0.54) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL3975176 0.82 HRH3 (0.51) NPC1RAB9ASMN1; SMN2TP53LMNA
Hydrochloric Acid SCHEMBL3970928 0.81 HRH3 (0.52) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL13654323 0.80 SRD5A2 (0.51) SMN1; SMN2LMNAALDH1A1MAPTHPGD

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 NPC1 2195/4885RAB9A 3350/4885SMN1; SMN2 4208/4885
US-20090264435-A1 Novel Aryl- and Heteroarylpiperazines HRH3, HRH2, HRH4 NPC1 2195/4885RAB9A 3350/4885SMN1; SMN2 4208/4885

“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.