SCHEMBL25532195

SCHEMBL25532195

CN(CCc1ccc(-n2ccc(N)nc2=O)cc1)[C@@H]1CC[C@H](CN)C1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 4/20 0.38
▸ CHIA Q9BZP6 9/20 0.36
▸ CHIT1 Q13231 8/20 0.36
▸ CHI3L1 P36222 1/20 0.33
▸ CHI3L2 Q15782 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.31
▸ NAPEPLD Q6IQ20 3/20 0.31
▸ HCN4 Q9Y3Q4 1/20 0.30
▸ MCHR1 Q99705 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
SCHEMBL22254228 0.90 ROCK2 (0.39) ROCK2MCHR1
SCHEMBL22248689 0.86 CHIA (0.40) ROCK2CHIACHIT1CHI3L1CHI3L2
SCHEMBL25554604 0.86 CHIA (0.40) ROCK2CHIACHIT1CHI3L1CHI3L2
SCHEMBL25531988 0.79 NAPEPLD (0.36) CHIACHIT1NAPEPLD
SCHEMBL25532193 0.78 ROCK2 (0.47) ROCK2
SCHEMBL25531665 0.77 NAPEPLD (0.33) CHIACHIT1NAPEPLD
SCHEMBL22254243 0.77 ROCK2 (0.40) ROCK2MCHR1
SCHEMBL22254246 0.76 ROCK2 (0.55) ROCK2
SCHEMBL22254217 0.75 ROCK2 (0.38) ROCK2MCHR1
SCHEMBL22254572 0.75 ROCK2 (0.43) ROCK2

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 2850/4885CHIA 567/4885CHIT1 1119/4885

“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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