SCHEMBL21743780

SCHEMBL21743780

NC1CC(=O)NC(c2cccc3c2CCNC3)C1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CD44 P16070 2/20 0.44
PNMT P11086 2/20 0.35
MAOB P27338 1/20 0.34
SIGMAR1 Q99720 2/20 0.34
DRD2 P14416 3/20 0.31
DRD3 P35462 3/20 0.31
ANPEP P15144 2/20 0.31
PRCP P42785 1/20 0.31
HTR2C P28335 3/20 0.30
HTR2B P41595 2/20 0.30
HTR2A P28223 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
SCHEMBL21743789 0.74 CD44 (0.40) CD44PNMTMAOBHTR2CHTR2B
SCHEMBL21340182 0.69 CD44 (0.56) CD44PNMTMAOBPRCPHTR2C
SCHEMBL21743786 0.69 CD44 (0.45) CD44PNMTMAOBPRCPHTR2C
Hydrochloric Acid SCHEMBL29588004 0.68 CD44 (0.54) CD44PNMTMAOBPRCPHTR2C
Hydrochloric Acid SCHEMBL21326076 0.68 CD44 (0.54) CD44PNMTMAOBPRCPHTR2C
SCHEMBL21744248 0.64 CD44 (0.50) CD44PNMTMAOBHTR2CHTR2B
SCHEMBL21743785 0.63 CD44 (0.53) CD44PNMTMAOBPRCPHTR2C
SCHEMBL329571 0.63 CD44 (1.00) CD44PNMTMAOBPRCPHTR2C
SCHEMBL29771844 0.63 CD44 (1.00) CD44PNMTMAOBPRCPHTR2C
SCHEMBL27840577 0.62 CD44 (0.44) CD44PNMTMAOBPRCPHTR2C

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-20230112832-A1 Chemokine CXCR4 Receptor Modulators and Uses Related Thereto UNIV EMORY (US) 2023-04-13 US disclosed
US-20200054623-A1 Chemokine CXCR4 Receptor Modulators and Uses Related Thereto EMORY UNIVERSITY 2020-02-20 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 (2 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-20200054623-A1 Chemokine CXCR4 Receptor Modulators and Uses Related Thereto CXCR4, CXCL12, CXCR1 CD44 407/4885PNMT 4805/4885MAOB 4428/4885
US-20230112832-A1 Chemokine CXCR4 Receptor Modulators and Uses Related Thereto CXCR4, CXCL12, CXCR1 CD44 407/4885PNMT 4805/4885MAOB 4428/4885

“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.