SCHEMBL2235003

SCHEMBL2235003

CNCCCC(Cc1ncn2c1CCc1ccccc1-2)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.41
CYP3A4 P08684 2/20 0.41
SLC6A4 P31645 2/20 0.41
HTR2A P28223 2/20 0.41
HRH1 P35367 2/20 0.41
SLC22A2 O15244 1/20 0.41
SLC22A1 O15245 1/20 0.41
SLC22A3 O75751 1/20 0.41
CYP1A2 P05177 1/20 0.41
CHRM2 P08172 1/20 0.41
CYP2D6 P10635 1/20 0.41
CHRM1 P11229 1/20 0.41
DRD2 P14416 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
NFKB1 P19838 1/20 0.41
CHRM3 P20309 1/20 0.41
HTR2C P28335 1/20 0.41
MAPK1 P28482 1/20 0.41
ADRA1A P35348 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
Hydrochloric Acid SCHEMBL2237230 0.89 ALDH1A1 (0.35) SLC6A2CYP3A4HTTMEN1KMT2A
Hydrochloric Acid SCHEMBL2236530 0.89 PPARG (0.34) SLC6A2CYP3A4HTTMEN1KMT2A
SCHEMBL12255718 0.89 PPARG (0.40) MAPK1MEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL12255717 0.89 PPARG (0.40) MAPK1MEN1KMT2ASMN1; SMN2NPSR1
Hydrochloric Acid SCHEMBL2238333 0.87 GRIN1 (0.36) PPARGMTNR1AMTNR1BCPB2CPB1
SCHEMBL2234495 0.87 CPB2 (0.43) HTR2ACPB2CPB1
SCHEMBL2232868 0.87 CPB2 (0.43) HTR2ACPB2CPB1
SCHEMBL2237111 0.87 CPB2 (0.43) HTR2ACPB2CPB1
SCHEMBL2238532 0.86 MEN1 (0.47) DRD2MEN1KMT2A
SCHEMBL2238348 0.86 LMNA (0.39) SLC6A2SLC6A4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110213143-A1 COMPOUND HAVING TAFIA INHIBITORY ACTIVITY TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-09-01 US disclosed
US-20110213143-A1 COMPOUND HAVING TAFIA INHIBITORY ACTIVITY TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-09-01 US disclosed
EP-2361910-A1 COMPOUND HAVING TAFIA INHIBITORY ACTIVITY Taisho Pharmaceutical Co., Ltd. (JP) 2011-08-31 EP 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-20110213143-A1 COMPOUND HAVING TAFIA INHIBITORY ACTIVITY TAF1, TAF5, TAF11 SLC6A2 4637/4885CYP3A4 158/4885SLC6A4 3961/4885

“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.