SCHEMBL4385189

SCHEMBL4385189

NCCc1ccccc1Sc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.51
HPGD P15428 1/20 0.51
CYP2C19 P33261 1/20 0.51
CHRNA7 P36544 2/20 0.50
HTR2C P28335 1/20 0.50
HTR6 P50406 1/20 0.50
HTR2A P28223 2/20 0.47
TAAR1 Q96RJ0 8/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
HRH1 P35367 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
CYP2A6 P11509 1/20 0.41
LOXL2 Q9Y4K0 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
SCHEMBL2153441 0.87 TAAR1 (0.54) CYP2C9HPGDCYP2C19HTR2CHTR6
SCHEMBL9173697 0.87 MAOA (0.47) CYP2C9HPGDCYP2C19CHRNA7HTR2C
Hydrochloric Acid SCHEMBL4447997 0.85 TAAR1 (0.52) CYP2C9HPGDCYP2C19HTR2ATAAR1
SCHEMBL5333062 0.83 CHRNA7 (0.53) CYP2C9HPGDCYP2C19CHRNA7SMN1; SMN2
SCHEMBL10408277 0.79 TAAR1 (0.54) HTR2CHTR6HTR2ATAAR1SMN1; SMN2
SCHEMBL5147860 0.78 APOBEC3G (0.55) HTR2ATAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL28502631 0.78 TAAR1 (0.49) CYP2C9HPGDCYP2C19HTR2CHTR6
SCHEMBL6540104 0.78 TAAR1 (0.50) HTR2CHTR6TAAR1SLC6A2SLC6A4
SCHEMBL29581549 0.77 CHRNA7 (0.47) CYP2C9HPGDCYP2C19CHRNA7SMN1; SMN2
SCHEMBL7926650 0.77 CHRNA7 (0.47) CYP2C9HPGDCYP2C19CHRNA7SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7629358-B2 Compounds useful for the treatment of diseases PFIZER INC (US) 2009-12-08 US disclosed
US-7629358-B2 Compounds useful for the treatment of diseases PFIZER INC (US) 2009-12-08 US disclosed
EP-1727789-A2 PHENYLETHANOLAMINE DERIVATIVES AS BETA-2 AGONISTS Pfizer Limited (GB) 2006-12-06 EP disclosed
US-20050234097-A1 Compounds useful for the treatment of diseases PFIZER INC 2005-10-20 US disclosed
WO-2005090287-A2 PHENYLETHANOLAMINE DERIVATIVES AS BETA-2 AGONISTS PFIZER LIMITED (GB) 2005-09-29 WO 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-20050234097-A1 Compounds useful for the treatment of diseases LTC4S, CYP11B2, CYP11B1 CYP2C9 551/4885HPGD 44/4885CYP2C19 149/4885

“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.