Sugi Predict

Sugi Predict / Compounds / SCHEMBL3974785

SCHEMBL3974785

SCHEMBL3974785

CCC(CC)N1CCN(c2c(F)cc(C(=O)c3ccc(F)cc3)cc2F)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 12/20 0.53
▸ NPC1 O15118 4/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ TP53 P04637 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ HPGD P15428 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ CASP7 P55210 1/20 0.43
▸ RAD52 P43351 1/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ ALOX15 P16050 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
Hydrochloric Acid SCHEMBL3977941 0.99 HRH3 (0.54) HRH3NPC1RAB9ATP53LMNA
SCHEMBL3972329 0.84 NPC1 (0.65) HRH3NPC1RAB9ATP53LMNA
Hydrochloric Acid SCHEMBL3965457 0.83 NPC1 (0.63) HRH3NPC1RAB9ATP53LMNA
SCHEMBL3975176 0.78 HRH3 (0.51) HRH3NPC1RAB9ATP53LMNA
Hydrochloric Acid SCHEMBL3970928 0.77 HRH3 (0.52) HRH3NPC1RAB9ATP53LMNA
SCHEMBL7094802 0.75 DRD2 (0.54) HRH3NPC1RAB9ATP53LMNA
Hydrochloric Acid SCHEMBL3965661 0.74 HTR2C (0.53) HRH3NPC1RAB9ATP53LMNA
SCHEMBL3978162 0.72 MAPT (0.54) HRH3NPC1RAB9ATP53LMNA
SCHEMBL3967830 0.72 ALDH1A1 (0.60) HRH3NPC1RAB9ATP53LMNA
Hydrochloric Acid SCHEMBL3967645 0.71 ALDH1A1 (0.59) HRH3NPC1RAB9ATP53LMNA

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 HRH3 1/4885NPC1 2195/4885RAB9A 3350/4885
US-20090264435-A1 Novel Aryl- and Heteroarylpiperazines HRH3, HRH2, HRH4 HRH3 1/4885NPC1 2195/4885RAB9A 3350/4885

“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.