SCHEMBL2203786

SCHEMBL2203786

NC(=O)CC(c1ccccc1)c1ccncc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.56
SLC6A3 Q01959 5/20 0.52
SLC6A2 P23975 2/20 0.52
SLC6A4 P31645 2/20 0.52
LMNA P02545 4/20 0.48
EPHX2 P34913 1/20 0.47
HMOX2 P30519 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
PKM P14618 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
DRD3 P35462 2/20 0.43
ADORA3 P0DMS8 1/20 0.43
EDNRB P24530 1/20 0.43
MAPK1 P28482 1/20 0.43
MC4R P32245 1/20 0.43
MC3R P41968 1/20 0.43

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
SCHEMBL1383474 0.88 CYP2C19 (0.67) CYP2C19SLC6A3LMNASMN1; SMN2CYP1A2
Hydrochloric Acid SCHEMBL29096814 0.86 CYP2C19 (0.65) CYP2C19SLC6A3LMNASMN1; SMN2CYP1A2
Hydrochloric Acid SCHEMBL5011439 0.86 CYP2C19 (0.65) CYP2C19SLC6A3LMNASMN1; SMN2CYP1A2
SCHEMBL170301 0.85 SLC6A2 (0.55) CYP2C19SLC6A3SLC6A2SLC6A4LMNA
Hydrochloric Acid SCHEMBL128794 0.83 SLC6A2 (0.53) CYP2C19SLC6A3SLC6A2SLC6A4LMNA
SCHEMBL18873534 0.83 CYP2C19 (0.50) CYP2C19SLC6A3LMNAHMOX2SMN1; SMN2
SCHEMBL28682706 0.82 CYP2C19 (0.53) CYP2C19SLC6A3LMNAHMOX2SMN1; SMN2
SCHEMBL8674258 0.81 SLC6A3 (0.52) SLC6A3SLC6A2SLC6A4LMNAEPHX2
SCHEMBL8672694 0.81 SLC6A2 (0.52) CYP2C19SLC6A3SLC6A2SLC6A4LMNA
SCHEMBL17591689 0.80 LMNA (0.54) CYP2C19SLC6A3SLC6A2SLC6A4LMNA

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-20110166132-A1 Gamma Secretase Modulators AMGEN INC. (US) 2011-07-07 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-20110166132-A1 Gamma Secretase Modulators BACE1, BACE2, PSEN1 CYP2C19 4369/4885SLC6A3 4662/4885SLC6A2 4618/4885

“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.