SCHEMBL19829900

SCHEMBL19829900

COc1cccc2c1C(N)CCO2

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 1/20 0.45
HTR1A P08908 3/20 0.40
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
CTNNB1 P35222 1/20 0.38
WNT3A P56704 1/20 0.38
ADRA1A P35348 2/20 0.36
ABCB1 P08183 1/20 0.36
HTR2A P28223 1/20 0.35
AADAT Q8N5Z0 1/20 0.35

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
SCHEMBL2240288 0.83 HTR1A (0.44) HTR1ADRD2ADRA1AHTR2A
SCHEMBL1922464 0.83 HTR1A (0.44) HTR1ADRD2ADRA1AHTR2A
SCHEMBL29960150 0.82 MAP3K14 (0.63) MAP3K14HTR1ACTNNB1WNT3AABCB1
SCHEMBL29960701 0.81 MAP3K14 (0.45) MAP3K14HTR1ADRD2CTNNB1WNT3A
Hydrochloric Acid SCHEMBL29960788 0.79 HTR1A (0.54) MAP3K14HTR1ACTNNB1WNT3AHTR2A
SCHEMBL23841360 0.78 MAP3K14 (0.46) MAP3K14HTR1ACTNNB1WNT3AABCB1
SCHEMBL27736686 0.78 MAP3K14 (0.67) MAP3K14ADRA1AHTR2AAADAT
SCHEMBL4729948 0.78 MAP3K14 (0.67) MAP3K14ADRA1AHTR2AAADAT
SCHEMBL20480263 0.78 MAP3K14 (0.43) MAP3K14HTR1ACTNNB1WNT3A
SCHEMBL20480690 0.77 MAP3K14 (0.42) MAP3K14HTR1ADRD2CTNNB1WNT3A

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-20180028492-A1 COMPOUNDS AND COMPOSITIONS AND USES THEREOF PGI DRUG DISCOVERY LLC 2018-02-01 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-20180028492-A1 COMPOUNDS AND COMPOSITIONS AND USES THEREOF ACHE, CHAT, MAOB MAP3K14 4105/4885HTR1A 176/4885DRD2 447/4885

“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.