SCHEMBL3405625

SCHEMBL3405625

CSc1ccc(C(O)CN)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.57
NFKB1 P19838 3/20 0.57
TSHR P16473 2/20 0.57
HIF1A Q16665 2/20 0.57
HTR3A P46098 1/20 0.57
TDP1 Q9NUW8 4/20 0.55
KDM4E B2RXH2 4/20 0.55
APEX1 P27695 3/20 0.55
ALOX15 P16050 1/20 0.55
SLC6A4 P31645 5/20 0.52
BLM P54132 5/20 0.47
MAPT P10636 3/20 0.47
RECQL P46063 3/20 0.47
HPGD P15428 2/20 0.47
LMNA P02545 2/20 0.47
MAPK1 P28482 2/20 0.47
MEN1 O00255 1/20 0.47
ADRB2 P07550 1/20 0.47
ADRB1 P08588 1/20 0.47
ADRA2A P08913 1/20 0.47

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
SCHEMBL4074768 0.82 TAAR1 (0.80) TAAR1NFKB1TSHRHIF1AHTR3A
SCHEMBL6560714 0.81 SLC6A4 (0.59) SLC6A4LMNAMAOASLC6A2SLC6A3
SCHEMBL7560499 0.81 SLC6A4 (0.48) TSHRKDM4ESLC6A4CYP3A4MAOA
SCHEMBL9844565 0.80 SLC6A4 (0.53) TAAR1NFKB1TSHRHIF1AHTR3A
SCHEMBL19828349 0.80 SLC6A4 (0.44) TAAR1NFKB1TSHRHIF1AHTR3A
SCHEMBL11078427 0.78 SLC6A4 (0.55) SLC6A4MAOASLC6A2SLC6A3NOS3
SCHEMBL14392578 0.78 SLC6A4 (0.46) KDM4ESLC6A4ADRB2ADRB1MAOA
SCHEMBL30815764 0.78 SLC6A4 (0.46) KDM4ESLC6A4ADRB2ADRB1MAOA
SCHEMBL2015502 0.76 SLC6A4 (0.44) KDM4ESLC6A4MAOASLC6A2SLC6A3
SCHEMBL11382547 0.76 SLC6A4 (0.44) KDM4ESLC6A4RECQLMEN1KMT2A

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-8598202-B2 Aryl-hydroxyethylamino-pyrimidines and triazines as modulators of fatty acid amide hydrolase JANSSEN PHARMACEUTICA NV (BE) 2013-12-03 US disclosed
EP-2254415-B1 ARYL-HYDROXYETHYLAMINO-PYRIMIDINES AND TRIAZINES AS MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2013-01-23 EP disclosed
EP-2254415-A1 ARYL-HYDROXYETHYLAMINO-PYRIMIDINES AND TRIAZINES AS MODULATORS OF FATTY ACID AMIDE HYDROLASE Janssen Pharmaceutica, N.V. (BE) 2010-12-01 EP disclosed
US-20090264429-A1 Aryl - Hydroxyethylamino - Pyrimidines and Triazines as Modulators of Fatty Acid amide Hydrolase JANSSEN PHARMACEUTICA NV (BE) 2009-10-22 US disclosed
WO-2009105220-A1 ARYL-HYDROXYETHYLAMINO-PYRIMIDINES AND TRIAZINES AS MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA N.V. (BE) 2009-08-27 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-20090264429-A1 Aryl - Hydroxyethylamino - Pyrimidines and Triazines as Modulators of Fatty Acid amide Hydrolase FAAH, FAAH2, HRH2 TAAR1 120/4885NFKB1 2115/4885TSHR 863/4885

“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.