SCHEMBL21113562

SCHEMBL21113562

[LiH].c1ccc(C(c2ccccc2)(c2ccccc2)N2CCc3ccsc3C2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 3/20 0.43
DRD4 P21917 3/20 0.43
DRD3 P35462 3/20 0.43
DRD2 P14416 2/20 0.43
DRD5 P21918 2/20 0.43
CYP2C19 P33261 2/20 0.34
CYP2B6 P20813 2/20 0.34
USP2 O75604 1/20 0.34
ABCB11 O95342 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
ADRA2A P08913 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
ADRB3 P13945 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 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
SCHEMBL2913672 0.98 DRD1 (0.44) DRD1DRD4DRD3DRD2DRD5
Lithium SCHEMBL29926457 0.97 DRD1 (0.43) DRD1DRD4DRD3DRD2DRD5
SCHEMBL1669641 0.86 DRD1 (0.43) DRD1DRD4DRD3DRD2DRD5
SCHEMBL30915985 0.76 MAOA (0.48) DRD1DRD4DRD3DRD2DRD5
SCHEMBL22379866 0.75 DRD1 (0.45) DRD1DRD4DRD3DRD2DRD5
SCHEMBL29927269 0.74
SCHEMBL1528523 0.69 CYP2B6 (0.36) CYP2C19CYP2B6CYP3A4CYP2C9MAPK1
SCHEMBL13097997 0.69 HDAC6 (0.30)
SCHEMBL25223676 0.68 ASIC3 (0.44) PRMT5GRIN2BAKR1C3
SCHEMBL14101064 0.68 HSD17B3 (0.42) PRMT5GRIN2BAKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190211029-A1 PROCESS FOR THE PREPARATION OF HIGH-PURITY PRASUGREL RICHTER GEDEON NYRT. (HU) 2019-07-11 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 (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-20190211029-A1 PROCESS FOR THE PREPARATION OF HIGH-PURITY PRASUGREL CYP3A5, CYP4B1, AGPS DRD1 4339/4885DRD4 4335/4885DRD3 4368/4885

“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.