SCHEMBL4781865

SCHEMBL4781865

Cc1ccc2c3c(ccc2n1)OCC(CNCCCCN1CCc2cc(F)ccc21)O3

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 17/20 0.50
DRD2 P14416 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C8 P10632 1/20 0.42
DRD4 P21917 1/20 0.42
CYP2C19 P33261 1/20 0.42
DRD3 P35462 1/20 0.42
SLC6A4 P31645 1/20 0.39
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
CTSS P25774 1/20 0.35
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
HTR1D P28221 1/20 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
SCHEMBL4782631 1.00 HTR1A (0.50) HTR1ADRD2CYP3A4CYP2C8DRD4
SCHEMBL4781412 0.98 HTR1A (0.51) HTR1ADRD2CYP3A4CYP2C8DRD4
SCHEMBL4783147 0.98 HTR1A (0.51) HTR1ADRD2CYP3A4CYP2C8DRD4
SCHEMBL4783317 0.94 HTR1A (0.50) HTR1ADRD2CYP3A4CYP2C8DRD4
SCHEMBL4783988 0.94 HTR1A (0.50) HTR1ADRD2CYP3A4CYP2C8DRD4
SCHEMBL4900902 0.93 HTR1A (0.49) HTR1ADRD2CYP3A4CYP2C8DRD4
SCHEMBL4898253 0.93 HTR1A (0.49) HTR1ADRD2CYP3A4CYP2C8DRD4
SCHEMBL4877084 0.92 HTR1A (0.51) HTR1ADRD2CYP3A4CYP2C8DRD4
SCHEMBL4781308 0.92 HTR1A (0.51) HTR1ADRD2CYP3A4CYP2C8DRD4
SCHEMBL4898071 0.87 HTR1A (0.49) HTR1ADRD2CYP3A4CYP2C8DRD4

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 3 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 claimed
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 HTR1A 6/4885DRD2 33/4885CYP3A4 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.