SCHEMBL2805100

SCHEMBL2805100

NC1(C(=O)NCc2ccc(Nc3ccc(F)cc3C(F)(F)F)cn2)CCOC1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.37
OPRL1 P41146 3/20 0.36
P2RX7 Q99572 2/20 0.36
TRPA1 O75762 4/20 0.34
CNR1 P21554 1/20 0.34
FLT3 P36888 1/20 0.34
MAPK3 P27361 1/20 0.34
MAPK1 P28482 1/20 0.34
AURKA O14965 2/20 0.33
BCDIN3D Q7Z5W3 1/20 0.33

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
SCHEMBL2809823 1.00 CNR2 (0.37) CNR2OPRL1P2RX7TRPA1CNR1
SCHEMBL2807472 0.92 P2RX7 (0.39) CNR2P2RX7TRPA1CNR1AURKA
Hydrochloric Acid SCHEMBL2805225 0.91 P2RX7 (0.39) CNR2P2RX7TRPA1CNR1AURKA
SCHEMBL2804935 0.88 OPRL1 (0.38) CNR2OPRL1P2RX7CNR1
SCHEMBL13128909 0.87 CNR2 (0.37) CNR2OPRL1P2RX7CNR1MAPK3
Hydrochloric Acid SCHEMBL2805208 0.86 CNR2 (0.36) CNR2OPRL1P2RX7CNR1MAPK3
SCHEMBL2808145 0.85 CNR2 (0.36) CNR2OPRL1P2RX7
SCHEMBL185111 0.85 CNR2 (0.36) CNR2OPRL1P2RX7TRPA1FLT3
SCHEMBL185618 0.85 AKT2 (0.39) CNR2OPRL1P2RX7CNR1AURKA
SCHEMBL19418572 0.84 CNR2 (0.38) CNR2P2RX7TRPA1CNR1AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130131075-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-23 US disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 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-20130131075-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 CNR2 882/4885OPRL1 334/4885P2RX7 30/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 CNR2 882/4885OPRL1 334/4885P2RX7 30/4885

“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.