SCHEMBL4729997

SCHEMBL4729997

Cc1ccc2c3c(ccc2n1)OC[C@H](CNC(=O)O)O3

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
HTR1A P08908 15/20 0.51
CYP3A4 P08684 1/20 0.47
CYP2C8 P10632 1/20 0.47
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
CYP2C19 P33261 1/20 0.47
DRD3 P35462 1/20 0.47
SLC6A4 P31645 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NOD2 Q9HC29 1/20 0.44
MTNR1A P48039 1/20 0.43
NPC1 O15118 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL14196478 0.85 HTR1A (0.52) LMNAHTR1ACYP3A4CYP2C8DRD2
SCHEMBL4375168 0.84 HTR1A (0.55) LMNAHTR1ACYP3A4CYP2C8DRD2
SCHEMBL4998334 0.84 HTR1A (0.55) LMNAHTR1ACYP3A4CYP2C8DRD2
SCHEMBL4363794 0.84 HTR1A (0.55) LMNAHTR1ACYP3A4CYP2C8DRD2
SCHEMBL13927903 0.83 HTR1A (0.56) LMNAHTR1ACYP3A4CYP2C8DRD2
SCHEMBL4782511 0.82 HTR1A (0.48) HTR1ACYP3A4CYP2C8DRD2DRD4
SCHEMBL4907152 0.82 HTR1A (0.55) LMNAHTR1ACYP3A4CYP2C8DRD2
SCHEMBL4197898 0.82 HTR1A (0.55) LMNAHTR1ACYP3A4CYP2C8DRD2
SCHEMBL13950879 0.82 HTR1A (0.55) LMNAHTR1ACYP3A4CYP2C8DRD2
SCHEMBL4778919 0.81 HTR1A (0.47) HTR1ACYP3A4CYP2C8DRD2DRD4

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-20080139546-A1 Tetrahydroquinoline, indoline, and related aniline derivatives of heterocycle-fused benzodioxan methylamines WYETH (US) 2008-06-12 US disclosed
WO-2008042735-A1 TETRAHYDROQUINOLINE, INDOLINE, AND RELATED ANILINE DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXAN METHYLAMINES WYETH (US) 2008-04-10 WO 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-20080139546-A1 Tetrahydroquinoline, indoline, and related aniline derivatives of heterocycle-fused benzodioxan methylamines HTR5A, HTR2C, HTR3A LMNA 2479/4885HTR1A 6/4885CYP3A4 290/4885

“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.