SCHEMBL3972312

SCHEMBL3972312

CC(C)(C1CC1)N1CCN(c2c(F)cc(C(O)c3ccccc3)cc2F)CC1.O=C(c1ccc(F)cc1)c1cc(F)c(N2CCN(CC3CC3)CC2)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.39
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
HTR2B P41595 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
ABCB1 P08183 4/20 0.36
SLC6A2 P23975 4/20 0.35
SLC6A4 P31645 4/20 0.35
SLC6A3 Q01959 4/20 0.35
HTR1A P08908 2/20 0.34
CACNA2D1 P54289 1/20 0.34
CACNA1B Q00975 1/20 0.34
CACNB1 Q02641 1/20 0.34
CACNA1C Q13936 1/20 0.34
HRH1 P35367 2/20 0.34
CCR3 P51677 2/20 0.34
CCR5 P51681 1/20 0.34

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
SCHEMBL7095522 0.81 FFAR4 (0.35) OPRM1OPRD1SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL3977354 0.80 FFAR4 (0.34) OPRM1OPRD1SLC6A2SLC6A3
SCHEMBL7094802 0.80 DRD2 (0.54) DRD2HTR2AHTR2CHTR2BSIGMAR1
Hydrochloric Acid SCHEMBL3965661 0.79 HTR2C (0.53) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL3978117 0.79 HPGD (0.43)
SCHEMBL3969715 0.78 NPC1 (0.43) DRD2HTR2AHTR2CHTR2BSIGMAR1
Hydrochloric Acid SCHEMBL3972238 0.77 KDM2B (0.43) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL3968456 0.69 ALDH1A1 (0.48) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL13654237 0.69 CYP1A2 (0.47)
Hydrochloric Acid SCHEMBL3972296 0.69 ALDH1A1 (0.50)

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 3 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
EP-1474401-A2 NOVEL ARYL- AND HETEROARYLPIPERAZINES NOVO NORDISK A/S (DK) 2004-11-10 EP 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 (1 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-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.