SCHEMBL22254166

SCHEMBL22254166

Nc1ccn(-c2ccc(CN3CC[C@@H](N)[C@H](O)C3)cc2)c(=O)n1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.51
CYP19A1 P11511 1/20 0.39
MCHR1 Q99705 4/20 0.36
SLC18A3 Q16572 3/20 0.36
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
GBA1 P04062 1/20 0.34
S1PR5 Q9H228 2/20 0.33
DPP4 P27487 2/20 0.33
DPP8 Q6V1X1 2/20 0.33
GAA P10253 1/20 0.33
S1PR4 O95977 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
PTPN11 Q06124 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
SCHEMBL25532196 1.00 ROCK2 (0.51) ROCK2CYP19A1MCHR1SLC18A3HTR1A
SCHEMBL22254159 1.00 ROCK2 (0.51) ROCK2CYP19A1MCHR1SLC18A3HTR1A
SCHEMBL22254489 0.88 ROCK2 (0.49) ROCK2MCHR1GBA1S1PR5DPP4
SCHEMBL25532118 0.88 ROCK2 (0.49) ROCK2MCHR1GBA1S1PR5DPP4
SCHEMBL25553818 0.88 ROCK2 (0.49) ROCK2MCHR1GBA1S1PR5DPP4
SCHEMBL22254188 0.88 ROCK2 (0.50) ROCK2MCHR1S1PR5S1PR4S1PR1
SCHEMBL22254828 0.88 ROCK2 (0.50) ROCK2CYP19A1MCHR1DPP4DPP8
SCHEMBL22254182 0.88 ROCK2 (0.50) ROCK2CYP19A1MCHR1DPP4DPP8
SCHEMBL22254165 0.88 ROCK2 (0.50) ROCK2MCHR1S1PR5S1PR4S1PR1
SCHEMBL22254158 0.88 ROCK2 (0.50) ROCK2CYP19A1MCHR1DPP4DPP8

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 2850/4885CYP19A1 4397/4885MCHR1 4720/4885

“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.