SCHEMBL619812

SCHEMBL619812

Cc1cc(C)c2cnc(-c3cc(C)c(OCCN4CCCC4)c(C)c3)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.46
BRD4 O60885 1/20 0.43
IL17A Q16552 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ACHE P22303 3/20 0.40
BCHE P06276 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HTR2A P28223 2/20 0.39
HTR7 P34969 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
ADRA1A P35348 1/20 0.39
HTR6 P50406 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CRHR1 P34998 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL616893 0.84 BRD4 (0.42) HTR1ABRD4IL17ASMN1; SMN2ACHE
SCHEMBL618528 0.84 BRD4 (0.42) BRD4IL17AALDH1A1KMT2AHRH3
SCHEMBL16516221 0.82 BRD4 (0.60) BRD4IL17A
SCHEMBL619094 0.81 BRD4 (0.59) BRD4IL17A
SCHEMBL618589 0.81 BRD4 (0.59) BRD4IL17A
SCHEMBL616003 0.81 SRC (0.45) BRD4IL17AALDH1A1HRH3
SCHEMBL616299 0.80 POLB (0.54) HTR1ABRD4IL17AALDH1A1KMT2A
SCHEMBL619114 0.80 BRD4 (0.58) BRD4IL17A
SCHEMBL616086 0.78 BRD4 (0.52) HTR1ABRD4IL17AHTR2AHTR7
SCHEMBL618768 0.78 BRD4 (0.50) HTR1ABRD4IL17AACHEHTR2A

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-20120040954-A1 NOVEL ANTI-INFLAMMATORY AGENTS HEPALINK (HONG KONG) LIMITED (HK) 2012-02-16 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-20120040954-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 HTR1A 3253/4885BRD4 700/4885IL17A 226/4885

“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.