SCHEMBL18310355

SCHEMBL18310355

CN1CCN(C2Cc3ccccc3Sc3ccc(C=O)cc32)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 15/20 0.69
HRH1 P35367 3/20 0.69
HTR2C P28335 3/20 0.69
TP53 P04637 3/20 0.69
CYP3A4 P08684 3/20 0.69
DRD4 P21917 2/20 0.69
CYP1A2 P05177 2/20 0.69
CYP2D6 P10635 2/20 0.69
CYP2C19 P33261 2/20 0.69
NPC1 O15118 2/20 0.69
MTOR P42345 2/20 0.69
RAB9A P51151 2/20 0.69
KCNK9 Q9NPC2 2/20 0.69
TSHR P16473 1/20 0.69
NFKB1 P19838 1/20 0.69
THPO P40225 1/20 0.69
HIF1A Q16665 1/20 0.69
MAPT P10636 4/20 0.66
HTR7 P34969 2/20 0.66
SMN1; SMN2 Q16637 2/20 0.66

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
SCHEMBL3837897 0.83 DRD2 (0.75) DRD2HRH1HTR2CTP53CYP3A4
SCHEMBL29414105 0.83 DRD2 (0.75) DRD2HRH1HTR2CTP53CYP3A4
SCHEMBL10873797 0.81 DRD2 (0.73) DRD2HRH1HTR2CTP53CYP3A4
Clorotepine SCHEMBL678917 0.81 DRD2 (1.00) DRD2HRH1HTR2CTP53CYP3A4
Clorotepine SCHEMBL29822559 0.81 DRD2 (1.00) DRD2HRH1HTR2CTP53CYP3A4
Metitepine SCHEMBL29496251 0.80 HTR7 (1.00) DRD2HRH1HTR2CTP53CYP3A4
Metitepine SCHEMBL14359602 0.80 HTR7 (1.00) DRD2HRH1HTR2CTP53CYP3A4
Metitepine SCHEMBL7517783 0.80 HTR7 (1.00) DRD2HRH1HTR2CTP53CYP3A4
Metitepine SCHEMBL113526 0.80 HTR7 (1.00) DRD2HRH1HTR2CTP53CYP3A4
SCHEMBL30810178 0.79 DRD2 (1.00) DRD2HRH1HTR2CTP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160361311-A1 LIGANDS THAT TARGET HEPATITIS C VIRUS E2 PROTEIN American University of Cairo (EG) 2016-12-15 US disclosed
US-20160361311-A1 LIGANDS THAT TARGET HEPATITIS C VIRUS E2 PROTEIN American University of Cairo (EG) 2016-12-15 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-20160361311-A1 LIGANDS THAT TARGET HEPATITIS C VIRUS E2 PROTEIN CD81, HAVCR2, CTRL DRD2 2441/4885HRH1 623/4885HTR2C 248/4885

“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.