SCHEMBL3168451

SCHEMBL3168451

CCOC(=O)CNCc1cccc(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.50
PPID Q08752 1/20 0.49
CHRM2 P08172 1/20 0.49
ALDH1A1 P00352 3/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
GID4 Q8IVV7 1/20 0.47
KDM4E B2RXH2 1/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
KYAT1 Q16773 1/20 0.46
MAPT P10636 2/20 0.46
LTA4H P09960 2/20 0.46
MAPK1 P28482 1/20 0.46
TRPV1 Q8NER1 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL11953351 0.87 HDAC1 (0.54) HDAC1CHRM2KMT2AMEN1GID4
SCHEMBL16839753 0.86 CHRM2 (0.54) HDAC1CHRM2ALDH1A1KMT2AMEN1
SCHEMBL11954384 0.85 KMT2A (0.53) PPIDALDH1A1KMT2AMEN1KDM4E
SCHEMBL4705479 0.85 KMT2A (0.43) PPIDALDH1A1KMT2AMEN1KDM4E
SCHEMBL2038799 0.85 PPID (0.71) PPIDALDH1A1KDM4ETSHRSMN1; SMN2
SCHEMBL11953968 0.84 CHRM2 (0.58) CHRM2ALDH1A1LTA4H
SCHEMBL13361352 0.83 PPID (0.47) PPIDALDH1A1KMT2ASMN1; SMN2MAPT
SCHEMBL23703051 0.83 CYP1A2 (0.50) PPIDALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL6322759 0.83 PPID (0.50) PPIDALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL5182549 0.83 PPID (0.49) PPIDALDH1A1KMT2ASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2173720-A2 2-IMIDAZOLINES HAVING A GOOD AFFINITY TO THE TRACE AMINE ASSOCIATED RECEPTORS (TAARS) F. Hoffmann-Roche AG (CH) 2010-04-14 EP disclosed
US-7652055-B2 2-imidazolines HOFFMAN-LA ROCHE INC. (US) 2010-01-26 US disclosed
US-20090018180-A1 2-IMIDAZOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-15 US disclosed
WO-2009003868-A2 2 -IMIDAZOLINES HAVING A GOOD AFFINITY TO THE TRACE AMINE ASSOCIATED RECEPTORS (TAARS) F. HOFFMANN-LA ROCHE AG (CH) 2009-01-08 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-20090018180-A1 2-IMIDAZOLINES TAAR1, TAAR5, NPY1R HDAC1 1016/4885PPID 788/4885CHRM2 340/4885

“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.