SCHEMBL12201054

SCHEMBL12201054

CCN(Cc1ccc(OC)cc1)c1ccccc1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.49
CNR1 P21554 4/20 0.49
TSHR P16473 3/20 0.45
LMNA P02545 2/20 0.43
MAPT P10636 1/20 0.43
NR3C1 P04150 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CHRM2 P08172 1/20 0.43
CYP3A4 P08684 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
CYP2D6 P10635 1/20 0.43
DRD1 P21728 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
SLC6A4 P31645 1/20 0.43
CYP2C19 P33261 1/20 0.43
HRH1 P35367 1/20 0.43

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
SCHEMBL22340783 0.81 TSHR (0.70) CNR2CNR1TSHRLMNAMAPT
SCHEMBL8909807 0.81 ACHE (0.46) CNR2CNR1TSHRMEN1OPRM1
SCHEMBL11319163 0.79 CNR2 (0.44) CNR2CNR1TSHRLMNAMAPT
SCHEMBL20870842 0.79 CNR2 (0.57) CNR2CNR1TSHRLMNAMAPT
SCHEMBL22340711 0.78 TSHR (0.70) CNR2CNR1TSHRLMNAMAPT
SCHEMBL6538841 0.77 TDP1 (0.45) MAPTMEN1ALDH1A1CYP3A4SLC6A4
Nitrogen SCHEMBL11740757 0.77 TSHR (0.64) CNR2CNR1TSHRLMNAMAPT
SCHEMBL50190 0.76 ALDH1A1 (0.43) CNR2TSHRMAPTALDH1A1CYP1A2
SCHEMBL22340648 0.76 CNR2 (0.59) CNR2CNR1TSHRMAPTKMT2A
SCHEMBL26694572 0.75 LTA4H (0.57) CNR2CNR1TSHRLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8034959-B2 Methods of treating cancer with an antibody-drug conjugate MEDAREX, INC. (US) 2011-10-11 US disclosed
US-7977465-B2 Peptidyl prodrugs and linkers and stabilizers useful therefor MEDAREX, INC. (US) 2011-07-12 US disclosed
US-RE41252-E1 Peptidyl prodrugs and linkers and stabilizers useful therefor MEDAREX, INC. (US) 2010-04-20 US disclosed
US-20090209734-A1 PEPTIDYL PRODRUGS AND LINKERS AND STABILIZERS USEFUL THEREFOR MEDAREX, INC. (US) 2009-08-20 US disclosed
US-20090175888-A1 METHODS OF TREATING CANCER WITH AN ANTIBODY-DRUG CONJUGATE MEDAREX, INC. (US) 2009-07-09 US disclosed
US-7507420-B2 Peptidyl prodrugs and linkers and stabilizers useful therefor MEDAREX, INC. (US) 2009-03-24 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-20090175888-A1 METHODS OF TREATING CANCER WITH AN ANTIBODY-DRUG CONJUGATE PDIA5, CD38, DUT CNR2 3060/4885CNR1 2993/4885TSHR 3420/4885
US-20090209734-A1 PEPTIDYL PRODRUGS AND LINKERS AND STABILIZERS USEFUL THEREFOR VIP, PIN1, PDF CNR2 3405/4885CNR1 3109/4885TSHR 4331/4885

“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.