SCHEMBL19429002

SCHEMBL19429002

CN(C)CN(C)Cc1cccc2sc3ccccc3c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
GPR3 P46089 1/20 0.42
MAOA P21397 5/20 0.38
MAOB P27338 5/20 0.38
LMNA P02545 4/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPK1 P28482 1/20 0.35
RAD52 P43351 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SLC6A2 P23975 3/20 0.34
SIGMAR1 Q99720 3/20 0.34
NR1I2 O75469 2/20 0.34
HTR2A P28223 2/20 0.34
SLC6A4 P31645 2/20 0.34
KCNH2 Q12809 2/20 0.34
ADRA2A P08913 2/20 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
SCHEMBL19429049 0.85 CYP2D6 (0.47) CYP2D6CYP1A2CYP2C19GPR3LMNA
SCHEMBL19429005 0.84 POLB (0.34) CYP2D6CYP1A2CYP2C19MAOAMAOB
Trimethylammonium SCHEMBL27740509 0.78 GPR3 (0.48) CYP2D6CYP1A2CYP2C19GPR3LMNA
SCHEMBL19429003 0.76 ALDH1A1 (0.44) CYP2D6GPR3MAOAMAOBLMNA
SCHEMBL19429087 0.76 GPR3 (0.42) CYP2D6CYP1A2GPR3MAOAMAOB
SCHEMBL508145 0.75 GPR3 (0.54) CYP1A2CYP2C19GPR3LMNAALDH1A1
SCHEMBL19257713 0.73 GPR3 (0.56) CYP1A2GPR3MAOAMAOBALDH1A1
SCHEMBL5798057 0.72 GPR3 (0.50) CYP1A2CYP2C19GPR3ALDH1A1MAPT
SCHEMBL21369776 0.72 GPR3 (0.50) CYP1A2CYP2C19GPR3LMNAALDH1A1
SCHEMBL21465293 0.72 GPR3 (0.54) CYP1A2CYP2C19GPR3MAOAMAOB

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-20170288148-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT COMPRISING THE SAME, AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2017-10-05 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-20170288148-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT COMPRISING THE SAME, AND ELECTRONIC DEVICE THEREOF OCIAD1, GPX1, PIEZO1 CYP2D6 1799/4885CYP1A2 885/4885CYP2C19 817/4885

“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.