SCHEMBL6869249

SCHEMBL6869249

CC1Cc2c(-c3ccccc3Cl)cc(OCCN3CCCCC3)cc2N(c2c(Cl)cccc2Cl)C1=O

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.55
HTR2C P28335 1/20 0.41
HRH3 Q9Y5N1 5/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
TSHR P16473 1/20 0.40
GALR3 O60755 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
AVPR1B P47901 1/20 0.39
IGF1R P08069 1/20 0.39

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
SCHEMBL6667535 0.83 MAPK14 (0.66) MAPK14
SCHEMBL6672641 0.82 MAPK14 (0.79) MAPK14
SCHEMBL6864739 0.76 MAPK14 (0.78) MAPK14
SCHEMBL6672013 0.74 MAPK14 (0.55) MAPK14HRH3TSHR
SCHEMBL6669016 0.66 MAPK14 (0.62) MAPK14
SCHEMBL30556338 0.66 TSHR (0.68) HTR2CTSHR
SCHEMBL6667920 0.65 MAPK14 (0.71) MAPK14
SCHEMBL6669680 0.64 MAPK14 (1.00) MAPK14
SCHEMBL6672721 0.64 MAPK14 (0.71) MAPK14
SCHEMBL6865873 0.64 MAPK14 (0.55) MAPK14

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-6809199-B2 ANTIINFLAMMATORY AGENTS; RHEUMATIC DISEASES MERCK & CO., INC. 2004-10-26 US disclosed
US-20030092712-A1 (Halo-benzo carbonyl)heterocyclo fused phenyl p38 kinase inhibiting agents MERCK SHARP & DOHME CORP. 2003-05-15 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-20030092712-A1 (Halo-benzo carbonyl)heterocyclo fused phenyl p38 kinase inhibiting agents MAPK1, MAPK7, MAPKAPK2 MAPK14 5/4885HTR2C 3933/4885HRH3 1174/4885

“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.