SCHEMBL22254840

SCHEMBL22254840

O=C(Nc1ccn(-c2ccc(CN3CC(C4CCNCC4)C3)cc2)c(=O)n1)N1CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 2/20 0.38
▸ POLB P06746 1/20 0.35
▸ PRKAB2 O43741 1/20 0.34
▸ PRKAG1 P54619 1/20 0.34
▸ PRKAA2 P54646 1/20 0.34
▸ PRKAA1 Q13131 1/20 0.34
▸ PRKAG3 Q9UGI9 1/20 0.34
▸ PRKAG2 Q9UGJ0 1/20 0.34
▸ PRKAB1 Q9Y478 1/20 0.34
▸ FAAH O00519 12/20 0.34
▸ ENPP2 Q13822 1/20 0.33
▸ MLNR O43193 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ GHSR Q92847 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
SCHEMBL22254833 0.92 KCNH2 (0.35) ROCK2POLBENPP2
SCHEMBL22249124 0.92 ROCK2 (0.36) ROCK2POLBPRKAB2PRKAG1PRKAA2
SCHEMBL22254870 0.89 ROCK2 (0.37) ROCK2PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL22248417 0.89 ROCK2 (0.37) ROCK2POLBFAAHENPP2
SCHEMBL22254537 0.89 ROCK2 (0.39) ROCK2POLBPRKAB2PRKAG1PRKAA2
SCHEMBL22249117 0.89 ROCK2 (0.39) ROCK2POLBPRKAB2PRKAG1PRKAA2
SCHEMBL22249142 0.89 ROCK2 (0.35) ROCK2POLBPRKAB2PRKAG1PRKAA2
SCHEMBL22248411 0.89 CXCR4 (0.39) POLBFAAH
SCHEMBL22254818 0.88 ROCK2 (0.37) ROCK2POLBPRKAB2PRKAG1PRKAA2
SCHEMBL22248329 0.87 ROCK2 (0.38) ROCK2POLBPRKAB2PRKAG1PRKAA2

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-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
WO-2020150385-A1 ANTIMICROBIAL COMPOUNDS AND METHODS CURZA GLOBAL, LLC (US) 2020-07-23 — — WO 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 2850/4885POLB 108/4885PRKAB2 3725/4885

“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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