SCHEMBL25554604

SCHEMBL25554604

CN(CCc1ccc(-n2ccc(N)nc2=O)cc1)[C@H]1CC[C@@H](N)CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CHIA Q9BZP6 9/20 0.40
▸ CHIT1 Q13231 8/20 0.40
▸ ROCK2 O75116 5/20 0.37
▸ CHI3L1 P36222 1/20 0.37
▸ CHI3L2 Q15782 1/20 0.37
▸ MCHR1 Q99705 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ HRH1 P35367 1/20 0.33
▸ GRIN2B Q13224 1/20 0.32
▸ HTR2A P28223 1/20 0.31
▸ 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
SCHEMBL22248689 1.00 CHIA (0.40) CHIACHIT1ROCK2CHI3L1CHI3L2
SCHEMBL25532075 0.89 ROCK2 (0.38) ROCK2MCHR1KCNJ1
SCHEMBL22254217 0.89 ROCK2 (0.38) ROCK2MCHR1KCNJ1
SCHEMBL25532195 0.86 ROCK2 (0.38) CHIACHIT1ROCK2CHI3L1CHI3L2
SCHEMBL22254243 0.83 ROCK2 (0.40) ROCK2MCHR1KCNJ1
SCHEMBL22248657 0.81 ROCK2 (0.36) ROCK2MCHR1
SCHEMBL25532162 0.81 MCHR1 (0.37) CHIACHIT1ROCK2MCHR1
SCHEMBL22254249 0.81 MCHR1 (0.37) CHIACHIT1ROCK2MCHR1
SCHEMBL25554582 0.81 ROCK2 (0.36) ROCK2MCHR1
SCHEMBL22254220 0.80 ROCK2 (0.37) CHIACHIT1ROCK2MCHR1GRIN2B

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 1 patent. 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

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 CHIA 567/4885CHIT1 1119/4885ROCK2 2850/4885

“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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