SCHEMBL3939166

SCHEMBL3939166

[C]1[C]Nc2ncccc2C1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32

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
SCHEMBL964442 0.80
SCHEMBL18633926 0.77 ADRA2A (0.32) ADRA2AADRA2BADRA2C
SCHEMBL870281 0.69 ADRA2A (0.38) ADRA2AADRA2BADRA2C
SCHEMBL326343 0.69 ADRA2A (0.32) ADRA2AADRA2BADRA2C
SCHEMBL2923845 0.69 ADRA2A (0.32) ADRA2AADRA2BADRA2C
SCHEMBL160466 0.69 ADRA2A (0.32) ADRA2AADRA2BADRA2C
SCHEMBL452239 0.67 MAPT (0.35)
SCHEMBL2400223 0.66
SCHEMBL3937255 0.63 CHRNB2 (0.38)
SCHEMBL29376210 0.63

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-7557130-B2 Bicyclic heteroaromatic alanines UCB PHARMA, S.A. (BE) 2009-07-07 US disclosed
US-20040209913-A1 e.g., 3-[1-(3,5-Dichloroisonicotinoyl)-2,3-dihydro-1 H-indol-5-yl]-2-[(3-oxo-spiro[3.5]non-1-en-1-yl)amino]-propanoate; modulating cell adhesion for the prophylaxis or treatment of inflammatory diseases or disorders, such as rheumatoid arthritis, in which the extravasculation of leukocytes plays a role. UCB PHARMA S.A. (BE) 2004-10-21 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-20040209913-A1 e.g., 3-[1-(3,5-Dichloroisonicotinoyl)-2,3-dihydro-1 H-indol-5-yl]-2-[(3-oxo-spiro[3.5]non-1-en-1-yl)amino]-propanoate; modulating cell adhesion for the prophylaxis or treatment of inflammatory diseases or disorders, such as rheumatoid arthritis, in which the extravasculation of leukocytes plays a role. ICAM1, VCAM1, CCR1 ADRA2A 198/4885ADRA2B 205/4885ADRA2C 156/4885

“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.