SCHEMBL21311738

SCHEMBL21311738

Nc1nccc(C2CCNC2)c1C=O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.35
▸ HTR3A P46098 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ ROCK1 Q13464 1/20 0.33
▸ MKNK1 Q9BUB5 1/20 0.33
▸ MKNK2 Q9HBH9 1/20 0.33
▸ TLR9 Q9NR96 1/20 0.33
▸ TLR8 Q9NR97 1/20 0.33
▸ TLR7 Q9NYK1 1/20 0.33

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
SCHEMBL27905525 0.80 HRH3 (0.35) HRH3
SCHEMBL9842899 0.74 HTR1A (0.46) —
SCHEMBL28131823 0.72 HTR6 (0.38) HRH3ROCK1MKNK1MKNK2
SCHEMBL673108 0.71 ROCK1 (0.36) HRH3ROCK1MKNK1MKNK2
SCHEMBL4367350 0.71 ROCK1 (0.39) HRH3HTR3AROCK1MKNK1MKNK2
SCHEMBL4367345 0.71 ROCK1 (0.39) HRH3HTR3AROCK1MKNK1MKNK2
SCHEMBL30769910 0.70 TLR9 (0.43) HRH3HTR2CROCK1MKNK1MKNK2
SCHEMBL2244757 0.70 TLR9 (0.43) HRH3HTR2CROCK1MKNK1MKNK2
Hydrochloric Acid SCHEMBL27035336 0.69 HTR2C (0.42) HRH3HTR2CROCK1MKNK1MKNK2
SCHEMBL16836549 0.69 BTK (0.41) ROCK1

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-20210188847-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-06-24 — — US disclosed
US-10968219-B2 3-substituted propionic acids as αV integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-04-06 — — US disclosed
US-20190263808-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-08-29 — — 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 (3 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-20190263808-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS ITGAV, ITGB3, ITGB1 HRH3 2126/4885HTR3A 1099/4885HTR2A 3401/4885
US-20210188847-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS ITGAV, ITGB3, ITGB1 HRH3 1902/4885HTR3A 1247/4885HTR2A 3589/4885
US-10968219-B2 3-substituted propionic acids as αV integrin inhibitors ITGB3, ITGB1, ITGAV HRH3 2603/4885HTR3A 1349/4885HTR2A 3570/4885

“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.

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