SCHEMBL14036644

SCHEMBL14036644

CNCc1c[nH]c2ccc(F)cc12

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MPO P05164 13/20 0.72
GPR84 Q9NQS5 2/20 0.72
HTR2A P28223 3/20 0.59
TRPM8 Q7Z2W7 1/20 0.59
HTR2C P28335 1/20 0.59
HTR1A P08908 1/20 0.58
KMT2A Q03164 1/20 0.58
TSHR P16473 1/20 0.56
SLC6A4 P31645 1/20 0.56

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
SCHEMBL31415127 0.87 GPR84 (0.72) MPOGPR84HTR2AHTR2CHTR1A
SCHEMBL18383118 0.84 GPR84 (1.00) MPOGPR84HTR2ATRPM8HTR2C
SCHEMBL30913603 0.84 GPR84 (1.00) MPOGPR84HTR2ATRPM8HTR2C
SCHEMBL30482437 0.84 GPR84 (1.00) MPOGPR84HTR2ATRPM8HTR2C
SCHEMBL2404396 0.84 MPO (1.00) MPOGPR84HTR2ATRPM8HTR2C
SCHEMBL13973054 0.84 MPO (0.74) MPOGPR84HTR2ATRPM8HTR2C
SCHEMBL13958836 0.83 GPR84 (0.61) MPOGPR84HTR2ATRPM8HTR2C
SCHEMBL5238410 0.81 MPO (1.00) MPOGPR84SLC6A4
SCHEMBL23456044 0.81 HTR1D (0.61) MPOGPR84HTR2AHTR2CHTR1A
SCHEMBL8297901 0.81 GPR84 (0.73) MPOGPR84HTR2ATRPM8HTR2C

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119332255-A Electrochemical synthesis method of arundone derivatives 云南师范大学 2025-01-21 CN disclosed
EP-3939968-A1 NOVEL COMPOUND HAVING ANTICANCER ACTIVITY, AND METHOD FOR PRODUCING SAME Medicinal Bioconvergence Research Center (KR) 2022-01-19 EP disclosed
US-20080287347-A1 Novel Lipopeptides as Antibacterial Agents CUBIST PHARMACEUTICALS, INC. 2008-11-20 US disclosed
US-7408025-B2 Lipopeptides as antibacterial agents CUBIST PHARMACEUTICALS, INC. (US) 2008-08-05 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-20080287347-A1 Novel Lipopeptides as Antibacterial Agents CLPTM1, NGLY1, VIP MPO 925/4885GPR84 2944/4885HTR2A 4199/4885

“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.