SCHEMBL7094802

SCHEMBL7094802

O=C(c1ccc(F)cc1)c1cc(F)c(N2CCN(CC3CC3)CC2)c(F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.54
HTR2A P28223 2/20 0.54
HTR2C P28335 2/20 0.54
HTR2B P41595 2/20 0.54
SIGMAR1 Q99720 2/20 0.54
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
TP53 P04637 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
TSHR P16473 2/20 0.43
HPGD P15428 2/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HTT P42858 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 SCHEMBL3965661 0.99 HTR2C (0.53) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL3969715 0.90 NPC1 (0.43) DRD2HTR2AHTR2CHTR2BSIGMAR1
Hydrochloric Acid SCHEMBL3972238 0.89 KDM2B (0.43) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL3968456 0.84 ALDH1A1 (0.48) DRD2HTR2AHTR2CHTR2BSIGMAR1
Hydrochloric Acid SCHEMBL3972296 0.83 ALDH1A1 (0.50) RAB9ATP53SMN1; SMN2LMNAALDH1A1
SCHEMBL3972312 0.80 DRD2 (0.39) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL3974785 0.75 HRH3 (0.53) NPC1RAB9ATP53SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL3977941 0.74 HRH3 (0.54) NPC1RAB9ATP53SMN1; SMN2LMNA
SCHEMBL7358803 0.70 SIGMAR1 (1.00) DRD2HTR2AHTR2CHTR2BSIGMAR1
Hydrochloric Acid SCHEMBL10985548 0.70 CYP17A1 (0.52) DRD2HTR2AHTR2CHTR2BSIGMAR1

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 5 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
CN-1628109-A Novel aryl-and heteroaryl-piperazines NOVO NORDISK AS (DK) 2005-06-15 CN 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 DRD2 264/4885HTR2A 14/4885HTR2C 19/4885
US-20090264435-A1 Novel Aryl- and Heteroarylpiperazines HRH3, HRH2, HRH4 DRD2 264/4885HTR2A 14/4885HTR2C 19/4885

“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.