SCHEMBL25532164

SCHEMBL25532164

Nc1ccn(-c2ccc(CN(CCO)[C@H]3CC[C@H](N)CC3)cc2)c(=O)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 4/20 0.36
▸ CHIT1 Q13231 3/20 0.33
▸ CHIA Q9BZP6 3/20 0.33
▸ KCNH2 Q12809 2/20 0.33
▸ LTA4H P09960 1/20 0.33
▸ LMNA P02545 3/20 0.32
▸ CACNA1F O60840 2/20 0.32
▸ ALB P02768 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ CACNA1D Q01668 2/20 0.32
▸ CACNA1S Q13698 2/20 0.32
▸ CACNA1C Q13936 2/20 0.32
▸ PDE3A Q14432 2/20 0.32
▸ THRB P10828 1/20 0.31
▸ MTOR P42345 1/20 0.31
▸ MDM2 Q00987 1/20 0.31
▸ NCOA1 Q15788 1/20 0.31
▸ NCOA3 Q9Y6Q9 1/20 0.31
▸ ACKR3 P25106 1/20 0.30
▸ KCNJ1 P48048 1/20 0.30

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
SCHEMBL22254527 1.00 ROCK2 (0.36) ROCK2CHIT1CHIAKCNH2LTA4H
SCHEMBL22254249 0.90 MCHR1 (0.37) ROCK2CHIT1CHIAKCNH2
SCHEMBL25532162 0.90 MCHR1 (0.37) ROCK2CHIT1CHIAKCNH2
SCHEMBL25532172 0.90 ROCK2 (0.36) ROCK2CHIT1CHIAKCNH2
SCHEMBL22254532 0.90 ROCK2 (0.36) ROCK2CHIT1CHIAKCNH2
SCHEMBL22254220 0.87 ROCK2 (0.37) ROCK2CHIT1CHIALTA4H
SCHEMBL25532052 0.87 ROCK2 (0.37) ROCK2CHIT1CHIALTA4H
SCHEMBL22254248 0.86 ROCK2 (0.37) ROCK2LTA4H
SCHEMBL25532057 0.86 ROCK2 (0.37) ROCK2LTA4H
SCHEMBL22254244 0.84 SLC6A2 (0.41) ROCK2CHIT1CHIAKCNH2

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-20230159491-A1 Antimicrobial Compounds and Methods NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-05-25 — — US disclosed
US-20230159491-A1 Antimicrobial Compounds and Methods NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-05-25 — — 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-20230159491-A1 Antimicrobial Compounds and Methods MPO, NISCH, RPN2 ROCK2 2850/4885CHIT1 1119/4885CHIA 567/4885

“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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