Sugi Predict

Sugi Predict / Compounds / SCHEMBL3969715

SCHEMBL3969715

SCHEMBL3969715

O=C(c1ccccc1)c1cc(F)c(N2CCN(CC3CC3)CC2)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ ALOX15 P16050 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ KDM2B Q8NHM5 5/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ DRD2 P14416 3/20 0.42
▸ HTR2A P28223 2/20 0.42
▸ HTR2C P28335 2/20 0.42
▸ HTR2B P41595 2/20 0.42
▸ SIGMAR1 Q99720 2/20 0.42
▸ DRD3 P35462 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 SCHEMBL3972238 0.99 KDM2B (0.43) NPC1HPGDALOX15TSHRMAPK1
SCHEMBL7094802 0.90 DRD2 (0.54) NPC1HPGDTSHRMAPK1TP53
Hydrochloric Acid SCHEMBL3965661 0.89 HTR2C (0.53) NPC1HPGDTSHRMAPK1TP53
SCHEMBL3968456 0.82 ALDH1A1 (0.48) HPGDMAPK1TP53RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL3972296 0.81 ALDH1A1 (0.50) HPGDMAPK1TP53RAB9ASMN1; SMN2
SCHEMBL13648855 0.81 HRH3 (0.47) NPC1HPGDALOX15TSHRMAPK1
Hydrochloric Acid SCHEMBL3970779 0.80 HRH3 (0.46) NPC1HPGDALOX15TSHRMAPK1
SCHEMBL3977542 0.79 ALDH1A1 (0.50) NPC1HPGDALOX15TSHRMAPK1
SCHEMBL3972312 0.78 DRD2 (0.39) DRD2HTR2AHTR2CHTR2BSIGMAR1
Hydrochloric Acid SCHEMBL3974709 0.78 ALDH1A1 (0.49) NPC1HPGDALOX15TSHRMAPK1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101805298-A Novel aryl-with heteroaryl-piperazine HIGH POINT PHARMACEUTICALS LLC 2010-08-18 — — CN 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-20090264435-A1 Novel Aryl- and Heteroarylpiperazines HIGH POINT PHARMACEUTICALS, LLC (US) 2009-10-22 — — US disclosed
CN-1628109-A Novel aryl-and heteroaryl-piperazines NOVO NORDISK AS (DK) 2005-06-15 — — CN 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 2195/4885HPGD 870/4885ALOX15 1092/4885
US-20090264435-A1 Novel Aryl- and Heteroarylpiperazines HRH3, HRH2, HRH4 NPC1 2195/4885HPGD 870/4885ALOX15 1092/4885

“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.