SCHEMBL23627129

SCHEMBL23627129

CCC(C)c1ccc2c(C)n[nH]c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 1/20 0.41
GAA P10253 2/20 0.39
ALDH1A1 P00352 2/20 0.39
USP2 O75604 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
RXFP1 Q9HBX9 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
SGK1 O00141 1/20 0.34
MAPK1 P28482 4/20 0.33
CYP2C9 P11712 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL13266368 0.85 ADORA2A (0.40) ADORA2AADORA2BHDAC8MAPK1CYP1A2
SCHEMBL16076615 0.83 KIF11 (0.47) SCN10AGAAADORA2AADORA2BLMNA
SCHEMBL24991937 0.76 KIF11 (0.41) SCN10AGAAALDH1A1USP2PKM
SCHEMBL24025972 0.73 GAA (0.38) SCN10AGAAALDH1A1USP2PKM
SCHEMBL8348438 0.73 KIF11 (0.47) GAAALDH1A1HPGDADORA2AADORA2B
SCHEMBL18500493 0.72 ADORA2A (0.40) ADORA2AADORA2BMAPK1CYP1A2MAP2K4
SCHEMBL12247 0.71 ITK (0.53) ADORA2AADORA2BRXFP1MAPK1CYP1A2
SCHEMBL31552439 0.71 ITK (0.53) ADORA2AADORA2BRXFP1MAPK1CYP1A2
SCHEMBL84556 0.69 ADORA2A (0.43) GAAADORA2AADORA2BLMNAHTT
SCHEMBL11057467 0.69 ALDH1A1 (0.50) GAAALDH1A1USP2PKMHPGD

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-20210205305-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2021-07-08 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-20210205305-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A SCN10A 2796/4885GAA 3244/4885ALDH1A1 433/4885

“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.