SCHEMBL185133

SCHEMBL185133

NC1(C(=O)NCc2ccc(Nc3ccc(F)cc3C(F)(F)F)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.41
AKT2 P31751 2/20 0.40
MTOR P42345 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
P2RX7 Q99572 2/20 0.38
POLB P06746 2/20 0.38
RAB9A P51151 2/20 0.38
CNR1 P21554 2/20 0.37
NPC1 O15118 1/20 0.36
MAOB P27338 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
AURKA O14965 2/20 0.36
PRMT3 O60678 1/20 0.36
CHEK2 O96017 1/20 0.36
CSF1R P07333 1/20 0.36
RET P07949 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
SCHEMBL2804935 0.90 OPRL1 (0.38) CNR2AKT2MTORCA1CA2
SCHEMBL2809680 0.87 AKT2 (0.44) CNR2AKT2P2RX7CNR1AURKA
SCHEMBL2807472 0.87 P2RX7 (0.39) CNR2AKT2P2RX7CNR1AURKA
Hydrochloric Acid SCHEMBL2805225 0.86 P2RX7 (0.39) CNR2AKT2P2RX7CNR1AURKA
SCHEMBL184945 0.85 MT-CO2 (0.43) AKT2MTORCA1CA2CA7
SCHEMBL184742 0.84 CYP3A4 (0.40) CNR2CA1CA2CA7CA9
SCHEMBL2809028 0.83 P2RX7 (0.38) CNR2AKT2P2RX7CNR1AURKA
SCHEMBL2809872 0.83 TP53 (0.40) AKT2CA1CA2CA7CA9
SCHEMBL2808315 0.83 NPC1 (0.41) AKT2RAB9ANPC1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL2805860 0.83 P2RX7 (0.38) CNR2AKT2P2RX7CNR1AURKA

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-20130131075-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-23 US disclosed
EP-2401256-B1 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT (DE) 2013-04-17 EP disclosed
CN-102414177-A Compounds as bradykinin b1 antagonists BOEHRINGER INGELHEIM INT 2012-04-11 CN disclosed
EP-2401256-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-01-04 EP disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 US disclosed
WO-2010097372-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 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 (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 882/4885AKT2 3922/4885MTOR 3822/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 CNR2 882/4885AKT2 3922/4885MTOR 3822/4885

“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.