SCHEMBL4894422

SCHEMBL4894422

Cc1ccc2c3c(ccc2n1)OC[C@H](CNCCCCN1CCCc2ccccc21)O3

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 14/20 0.46
SLC6A4 P31645 1/20 0.43
CYP3A4 P08684 2/20 0.39
CYP2C8 P10632 1/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
CYP2C19 P33261 1/20 0.39
DRD3 P35462 1/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL4888873 1.00 HTR1A (0.46) HTR1ASLC6A4CYP3A4CYP2C8DRD2
SCHEMBL4894800 0.98 HTR1A (0.46) HTR1ASLC6A4CYP3A4CYP2C8DRD2
SCHEMBL4898959 0.98 HTR1A (0.46) HTR1ASLC6A4CYP3A4CYP2C8DRD2
SCHEMBL4783791 0.95 HTR1A (0.46) HTR1ASLC6A4CYP3A4CYP2C8DRD2
SCHEMBL4782871 0.95 HTR1A (0.46) HTR1ASLC6A4CYP3A4CYP2C8DRD2
SCHEMBL4781236 0.93 HTR1A (0.47) HTR1ASLC6A4CYP3A4CYP2C8DRD2
SCHEMBL4781901 0.93 HTR1A (0.47) HTR1ASLC6A4CYP3A4CYP2C8DRD2
SCHEMBL4898253 0.87 HTR1A (0.49) HTR1ASLC6A4CYP3A4CYP2C8DRD2
SCHEMBL4898071 0.87 HTR1A (0.49) HTR1ASLC6A4CYP3A4CYP2C8DRD2
SCHEMBL4900902 0.87 HTR1A (0.49) HTR1ASLC6A4CYP3A4CYP2C8DRD2

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 claimed
US-20080139546-A1 Tetrahydroquinoline, indoline, and related aniline derivatives of heterocycle-fused benzodioxan methylamines WYETH (US) 2008-06-12 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-20080139546-A1 Tetrahydroquinoline, indoline, and related aniline derivatives of heterocycle-fused benzodioxan methylamines HTR5A, HTR2C, HTR3A HTR1A 6/4885SLC6A4 22/4885CYP3A4 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.