SCHEMBL21461608

SCHEMBL21461608

OC(C[C@@H]1CCCN1)(c1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.53
KDM4E B2RXH2 1/20 0.53
NPC1 O15118 1/20 0.53
CYP1A2 P05177 1/20 0.53
HPGD P15428 1/20 0.53
MAPK1 P28482 1/20 0.53
CYP2C19 P33261 1/20 0.53
RAB9A P51151 1/20 0.53
POLB P06746 1/20 0.47
CHRM3 P20309 3/20 0.44
CHRM2 P08172 2/20 0.44
CHRM1 P11229 2/20 0.44
LTA4H P09960 4/20 0.42
FDPS P14324 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
HRH1 P35367 1/20 0.41
SCN1A P35498 1/20 0.41
KMT2A Q03164 1/20 0.41
SCN2A Q99250 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
SCHEMBL14856461 1.00 CYP2D6 (0.53) CYP2D6KDM4ENPC1CYP1A2HPGD
SCHEMBL5696428 1.00 CYP2D6 (0.53) CYP2D6KDM4ENPC1CYP1A2HPGD
SCHEMBL20832988 0.84 CYP2D6 (0.50) CYP2D6KDM4ENPC1CYP1A2HPGD
SCHEMBL22260033 0.84 CYP2D6 (0.50) CYP2D6KDM4ENPC1CYP1A2HPGD
SCHEMBL1641984 0.80 POLB (0.51) CYP2D6KDM4ENPC1CYP1A2HPGD
SCHEMBL20833001 0.80 POLB (0.51) CYP2D6KDM4ENPC1CYP1A2HPGD
SCHEMBL22260067 0.80 POLB (0.51) CYP2D6KDM4ENPC1CYP1A2HPGD
SCHEMBL22260272 0.75 CYP2D6 (0.48) CYP2D6KDM4ENPC1CYP1A2HPGD
SCHEMBL20833005 0.75 CYP2D6 (0.48) CYP2D6KDM4ENPC1CYP1A2HPGD
SCHEMBL27886943 0.75 GHSR (0.42) CYP2D6KDM4ENPC1CYP1A2HPGD

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
EP-3995492-B1 A TWO-STEP PROCESS FOR PREPARING 3-SUBSTITUTED PHENYLALKYLAMINES SpecGx LLC (US) 2024-05-29 EP claimed
US-20190315691-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF PAROXETINE AND ITS INTERMEDIATE Piramal Enterprises Limited (IN) 2019-10-17 US claimed

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-20190315691-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF PAROXETINE AND ITS INTERMEDIATE CYP2D6, CYP2C19, CYP2B6 CYP2D6 1/4885KDM4E 875/4885NPC1 2183/4885

“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.