SCHEMBL22396051

SCHEMBL22396051

O=C1N(c2ccc(Br)cc2)CCC12CCNCC2

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.43
RORC P51449 1/20 0.40
ITGB3 P05106 5/20 0.39
ITGA2B P08514 5/20 0.39
EGLN1 Q9GZT9 2/20 0.39
PIM1 P11309 1/20 0.38
LIPE Q05469 2/20 0.38
EBP Q15125 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
SCHEMBL24743012 0.91 RORC (0.47) HRH3RORCITGB3ITGA2BEGLN1
SCHEMBL6025250 0.84 ADRB1 (0.46) HRH3RORCITGB3ITGA2BEGLN1
SCHEMBL12342523 0.84 HRH3 (0.45) HRH3RORCITGB3ITGA2BEGLN1
SCHEMBL3127570 0.84 USP2 (0.47) HRH3RORCEGLN1PIM1
Hydrochloric Acid SCHEMBL2336913 0.83 HRH3 (0.44) HRH3RORCITGB3ITGA2BEGLN1
Hydrochloric Acid SCHEMBL2425459 0.83 USP2 (0.46) HRH3RORCEGLN1PIM1
SCHEMBL21764939 0.82 USP2 (0.43) HRH3RORCITGB3ITGA2BEGLN1
SCHEMBL17723583 0.81 ADRB2 (0.46) HRH3EGLN1PIM1
SCHEMBL2476740 0.81 HRH3 (0.56) HRH3ITGB3ITGA2BEGLN1LIPE
SCHEMBL29348863 0.81 HRH3 (0.43) HRH3ITGB3ITGA2BEGLN1LIPE

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3704121-B1 DIAZASPIRO ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2022-12-21 EP disclosed
EP-3704121-B1 DIAZASPIRO ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2022-12-21 EP disclosed
US-11192891-B2 Diazaspiro ROCK inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-12-07 US disclosed
US-11192891-B2 Diazaspiro ROCK inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-12-07 US disclosed
US-20210188848-A1 DIAZASPIRO ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-06-24 US disclosed
US-20210188848-A1 DIAZASPIRO ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-06-24 US disclosed
EP-3704121-A1 DIAZASPIRO ROCK INHIBITORS Bristol-Myers Squibb Company (US) 2020-09-09 EP 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 (2 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-11192891-B2 Diazaspiro ROCK inhibitors ROCK1, MYLK, ROCK2 HRH3 2911/4885RORC 1788/4885ITGB3 2030/4885
US-20210188848-A1 DIAZASPIRO ROCK INHIBITORS ROCK1, MYLK, ROCK2 HRH3 2911/4885RORC 1788/4885ITGB3 2030/4885

“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.