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SCHEMBL2806512

SCHEMBL2806512

CN(C)c1ncc(C(=O)NC2(C(=O)NCc3ccc(Nc4ccc(Cl)cc4C(F)(F)F)cn3)CC2)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ EGFR P00533 1/20 0.36
▸ BRAF P15056 1/20 0.36
▸ CNR2 P34972 5/20 0.36
▸ PTK2 Q05397 2/20 0.34
▸ BDKRB1 P46663 1/20 0.34
▸ CTSL P07711 1/20 0.34
▸ TP53 P04637 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ P2RX7 Q99572 1/20 0.33
▸ CTNNB1 P35222 1/20 0.33
▸ TCF7L2 Q9NQB0 1/20 0.33
▸ DDR1 Q08345 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ ALDH1A1 P00352 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
SCHEMBL185846 0.92 CYP1A2 (0.38) RAB9ACYP1A2CYP2D6CYP2C19CNR2
SCHEMBL13128552 0.91 CNR2 (0.39) RAB9ACYP1A2CYP2D6CYP2C19CNR2
SCHEMBL2810893 0.91 BRAF (0.36) EGFRBRAFCNR2PTK2BDKRB1
SCHEMBL2810010 0.91 RAB9A (0.39) RAB9ACYP1A2CYP2D6CYP2C19CNR2
SCHEMBL2808185 0.90 RAB9A (0.37) RAB9ACYP1A2CYP2D6CYP2C19CNR2
SCHEMBL2806675 0.90 PTK2 (0.38) RAB9ACYP1A2CYP2D6CYP2C19EGFR
SCHEMBL2809030 0.90 CNR2 (0.39) RAB9ACYP1A2CYP2D6CYP2C19EGFR
SCHEMBL2806105 0.89 CNR2 (0.39) RAB9ACYP1A2CYP2D6CYP2C19CNR2
SCHEMBL2808761 0.89 BDKRB1 (0.40) RAB9ACYP1A2CYP2D6CYP2C19CNR2
SCHEMBL2806218 0.89 BRAF (0.38) RAB9ACYP1A2CYP2D6CYP2C19EGFR

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 7 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-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
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 — — US disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 — — US 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 RAB9A 347/4885CYP1A2 892/4885CYP2D6 382/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 RAB9A 347/4885CYP1A2 892/4885CYP2D6 382/4885

“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.