SCHEMBL14944872

SCHEMBL14944872

CC(N)Cc1ccc(O)c(Cl)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.70
TAAR1 Q96RJ0 3/20 0.55
SLC6A2 P23975 3/20 0.55
SLC6A3 Q01959 2/20 0.55
HTR2A P28223 2/20 0.49
HTR2B P41595 2/20 0.49
CA2 P00918 1/20 0.49
HTR2C P28335 1/20 0.49
ALOX15 P16050 3/20 0.48
ALOX12 P18054 3/20 0.48
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 2/20 0.48
ALDH1A1 P00352 2/20 0.48
ESR1 P03372 2/20 0.48
TP53 P04637 2/20 0.48
CYP3A4 P08684 2/20 0.48
HPGD P15428 2/20 0.48
MAPK1 P28482 2/20 0.48
RECQL P46063 2/20 0.48
KMT2A Q03164 2/20 0.48

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
SCHEMBL14478214 1.00 PNMT (0.70) PNMTTAAR1SLC6A2SLC6A3HTR2A
SCHEMBL10436097 0.85 GABRA1 (0.63) PNMTSLC6A2SLC6A3HTR2AHTR2B
SCHEMBL13660697 0.82 ALOX15 (0.70) PNMTTAAR1SLC6A2SLC6A3HTR2A
SCHEMBL17413477 0.82 PNMT (1.00) PNMTTAAR1SLC6A2SLC6A3HTR2A
SCHEMBL29379558 0.82 ALOX15 (0.70) PNMTTAAR1SLC6A2SLC6A3HTR2A
SCHEMBL633687 0.82 ALOX15 (0.70) PNMTTAAR1SLC6A2SLC6A3HTR2A
SCHEMBL3058411 0.82 PNMT (1.00) PNMTTAAR1SLC6A2SLC6A3HTR2A
SCHEMBL2562361 0.82 ALOX15 (0.70) PNMTTAAR1SLC6A2SLC6A3HTR2A
SCHEMBL3058413 0.82 PNMT (1.00) PNMTTAAR1SLC6A2SLC6A3HTR2A
Bromide SCHEMBL8622617 0.81 ALOX15 (0.68) PNMTTAAR1SLC6A2SLC6A3HTR2A

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-10000555-B2 Monomethylvaline compounds having phenylalanine side-chain modification at the C-terminus SEATTLE GENETICS, INC. (US) 2018-06-19 US disclosed
US-20130123465-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS SEATTLE GENETICS, INC. (US) 2013-05-16 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 (2 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-20130123465-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS MMAB, PTMS, DNPEP PNMT 958/4885TAAR1 4174/4885SLC6A2 3436/4885
US-10000555-B2 Monomethylvaline compounds having phenylalanine side-chain modification at the C-terminus PTMS, MMAB, DNPEP PNMT 916/4885TAAR1 4189/4885SLC6A2 3422/4885

“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.