SCHEMBL22233582

SCHEMBL22233582

Nc1ccn(-c2ccc(CC3(N4CCC(NC(=O)O)CC4)CC3)cc2)c(=O)n1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 5/20 0.39
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ SIGMAR1 Q99720 1/20 0.32
▸ SMYD3 Q9H7B4 1/20 0.32
▸ KCNH2 Q12809 1/20 0.31
▸ MCHR1 Q99705 1/20 0.31
▸ MAPK11 Q15759 1/20 0.31
▸ MAPK14 Q16539 1/20 0.31
▸ SSTR4 P31391 2/20 0.31
▸ SSTR1 P30872 1/20 0.31
▸ ME3 Q16798 1/20 0.31
▸ EPHX1 P07099 1/20 0.31
▸ CHRM2 P08172 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ CHRM3 P20309 1/20 0.31
▸ NT5E P21589 1/20 0.30
▸ CNR1 P21554 1/20 0.30
▸ CNR2 P34972 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
SCHEMBL22255030 0.87 CKS1B (0.37) ROCK2
SCHEMBL22233627 0.83 ROCK2 (0.49) ROCK2SIGMAR1
SCHEMBL22233326 0.81 SIGMAR1 (0.47) ROCK2SIGMAR1KCNH2CHRM2
SCHEMBL22233606 0.81 ALDH1A1 (0.42) ROCK2SIGMAR1ME3
SCHEMBL22234082 0.80 KCNH2 (0.30) KCNH2MCHR1
SCHEMBL22233893 0.80 ROCK2 (0.51) ROCK2MAPTHPGDSMYD3MAPK11
SCHEMBL22234122 0.78 ROCK2 (0.49) ROCK2SIGMAR1KCNH2
SCHEMBL22233682 0.76 SIGMAR1 (0.47) SIGMAR1CHRM2
SCHEMBL22233148 0.74 ROCK2 (0.37) ROCK2SMYD3MAPK11MAPK14
SCHEMBL22233851 0.73 DRD4 (0.43) ROCK2SIGMAR1MCHR1CHRM2CHRM1

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
EP-3911644-A1 ANTIMICROBIAL COMPOUNDS AND METHODS Curza Global LLC (US) 2021-11-24 — — EP 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 2850/4885MAPT 4367/4885HPGD 1474/4885

“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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