SCHEMBL3596618

SCHEMBL3596618

O=C1NCC(c2cccc(O)c2)N1c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 3/20 0.49
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
SLC6A3 Q01959 5/20 0.41
SLC6A2 P23975 2/20 0.41
LMNA P02545 2/20 0.39
QPCT Q16769 3/20 0.39
KIF11 P52732 2/20 0.38
ALDH1A1 P00352 1/20 0.37
ERO1A Q96HE7 1/20 0.37

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
SCHEMBL3596611 1.00 PRKCZ (0.49) PRKCZTP53MAPTSLC6A3SLC6A2
SCHEMBL3591136 0.93 PRKCZ (0.44) PRKCZTP53MAPTSLC6A3SLC6A2
SCHEMBL3591132 0.93 PRKCZ (0.44) PRKCZTP53MAPTSLC6A3SLC6A2
SCHEMBL8789317 0.83 SLC6A3 (0.50) SLC6A3SLC6A2LMNAQPCTALDH1A1
SCHEMBL3590816 0.81 MEN1 (0.46) SLC6A3SLC6A2QPCT
SCHEMBL3590822 0.81 MEN1 (0.46) SLC6A3SLC6A2QPCT
SCHEMBL3592855 0.81 PRKCZ (0.48) PRKCZTP53MAPTLMNAQPCT
SCHEMBL3592858 0.81 PRKCZ (0.48) PRKCZTP53MAPTLMNAQPCT
SCHEMBL14161639 0.78 ALDH1A1 (0.46) SLC6A3SLC6A2LMNAQPCTALDH1A1
SCHEMBL3591294 0.78 TNKS2 (0.45)

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
US-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2013-08-15 US disclosed
US-8431607-B2 Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2013-04-30 US disclosed
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2010-09-16 US disclosed
CN-101600689-A Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC (VG) 2009-12-09 CN 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-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH PRKCZ 2082/4885TP53 4640/4885MAPT 1780/4885
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH PRKCZ 2082/4885TP53 4640/4885MAPT 1780/4885

“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.