SCHEMBL3594024

SCHEMBL3594024

O=C1N(Cc2ccc(Cl)nc2)CC(c2cccc(C(F)(F)F)c2)N1c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CETP P11597 12/20 0.50
NR1H2 P55055 2/20 0.39
NR1H3 Q13133 2/20 0.39
KCNK3 O14649 1/20 0.38
CACNA1B Q00975 1/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
P2RX3 P56373 1/20 0.36

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
SCHEMBL3594021 1.00 CETP (0.50) CETPNR1H2NR1H3KCNK3CACNA1B
SCHEMBL3589509 0.88 CETP (0.46) CETPNR1H2NR1H3KMT2A
SCHEMBL3589512 0.88 CETP (0.46) CETPNR1H2NR1H3KMT2A
SCHEMBL3584252 0.87 CETP (0.46) CETPNR1H2NR1H3KMT2A
SCHEMBL3584259 0.87 CETP (0.46) CETPNR1H2NR1H3KMT2A
SCHEMBL3585314 0.87 CETP (0.48) CETPMEN1CYP3A4KMT2ANPSR1
SCHEMBL3585308 0.87 CETP (0.48) CETPMEN1CYP3A4KMT2ANPSR1
SCHEMBL3583663 0.87 CETP (0.47) CETPNR1H2NR1H3P2RX3
SCHEMBL3583666 0.87 CETP (0.47) CETPNR1H2NR1H3P2RX3
SCHEMBL3596770 0.86 CETP (0.52) CETPMEN1CYP1A2CYP3A4CYP2D6

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 3 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

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 CETP 779/4885NR1H2 61/4885NR1H3 112/4885
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH CETP 779/4885NR1H2 61/4885NR1H3 112/4885

“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.