SCHEMBL2806680

SCHEMBL2806680

O=C(CC1CC1)NC1(C(=O)NCc2ccc(Nc3ccccc3C(F)(F)F)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 4/20 0.38
GAA P10253 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
BDKRB1 P46663 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
GRIN2B Q13224 1/20 0.37
P2RX7 Q99572 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CCR3 P51677 1/20 0.36
CCR2 P41597 1/20 0.36
AURKA O14965 1/20 0.36
NPY1R P25929 2/20 0.36
NPY5R Q15761 2/20 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
SCHEMBL2809250 0.87 ALDH1A1 (0.41) RAB9ANPC1POLBGAASMN1; SMN2
SCHEMBL2813346 0.87 GAA (0.40) RAB9ANPC1POLBGAASMN1; SMN2
SCHEMBL2806172 0.86 POLB (0.43) POLBGAAMEN1KMT2AP2RX7
SCHEMBL185966 0.85 BDKRB1 (0.40) RAB9ANPC1POLBGAABDKRB1
SCHEMBL2809644 0.84 ALDH1A1 (0.43) RAB9ANPC1POLBGAASMN1; SMN2
SCHEMBL2806687 0.84 GAA (0.42) RAB9ANPC1POLBGAASMN1; SMN2
SCHEMBL2809792 0.83 ALDH1A1 (0.43) RAB9ANPC1POLBGAASMN1; SMN2
SCHEMBL2807722 0.83 CTSL (0.44) POLBGAABDKRB1MEN1LMNA
SCHEMBL2809247 0.83 ALDH1A1 (0.40) RAB9ANPC1POLBGAASMN1; SMN2
SCHEMBL13159658 0.83 GAA (0.39) RAB9ANPC1POLBGAASMN1; SMN2

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 347/4885NPC1 926/4885POLB 3203/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 RAB9A 347/4885NPC1 926/4885POLB 3203/4885

“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.