SCHEMBL23658190

SCHEMBL23658190

CC(C)C(=O)C(CN)Cc1ccc2ccccc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.55
▸ HTR2C P28335 1/20 0.55
▸ HTR2B P41595 1/20 0.55
▸ MME P08473 2/20 0.43
▸ ACE P12821 1/20 0.43
▸ CPA1 P15085 1/20 0.43
▸ ACE2 Q9BYF1 1/20 0.43
▸ MAOB P27338 1/20 0.43
▸ MMP9 P14780 3/20 0.42
▸ MMP8 P22894 3/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ CYP2A6 P11509 1/20 0.42
▸ MC4R P32245 3/20 0.42
▸ MC5R P33032 3/20 0.42
▸ DPP4 P27487 1/20 0.41
▸ MMP2 P08253 1/20 0.41
▸ MC3R P41968 2/20 0.41
▸ SLC1A3 P43003 1/20 0.41
▸ SLC1A2 P43004 1/20 0.41
▸ SLC1A1 P43005 1/20 0.41

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
SCHEMBL24548518 0.82 HTR2A (0.68) HTR2AHTR2CHTR2BMMEACE
SCHEMBL18623970 0.81 CYP1A2 (0.55) MMECPA1CYP1A2CYP2A6SLC1A3
SCHEMBL18637664 0.79 MMP9 (0.46) HTR2AHTR2CHTR2BMMEACE
SCHEMBL23658106 0.77 MMP9 (0.43) MMEACECPA1ACE2MMP9
SCHEMBL24510711 0.77 MME (0.52) HTR2AHTR2CHTR2BMMEACE
SCHEMBL21166945 0.77 MME (0.52) HTR2AHTR2CHTR2BMMEACE
SCHEMBL22791879 0.77 MME (0.52) HTR2AHTR2CHTR2BMMEACE
SCHEMBL8872177 0.76 CYP1A2 (0.62) HTR2AHTR2CHTR2BMMEACE
SCHEMBL21690504 0.75 MME (0.51) HTR2AHTR2CHTR2BMMEACE
SCHEMBL16171805 0.75 MME (0.51) HTR2AHTR2CHTR2BMMEACE

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-20210221848-A1 POLYMYXIN DERIVATIVES AND THEIR USE IN COMBINATION THERAPY TOGETHER WITH DIFFERENT ANTIBIOTICS SPERO THERAPEUTICS, INC. 2021-07-22 — — 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-20210221848-A1 POLYMYXIN DERIVATIVES AND THEIR USE IN COMBINATION THERAPY TOGETHER WITH DIFFERENT ANTIBIOTICS PNISR, MRPS18A, MRPS35 HTR2A 4391/4885HTR2C 4426/4885HTR2B 3955/4885

“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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