SCHEMBL2236225

SCHEMBL2236225

OC1(/C=C/c2cccnc2)CCNCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.49
MAPT P10636 2/20 0.49
NPC1 O15118 2/20 0.49
KDM4E B2RXH2 2/20 0.49
JUN P05412 1/20 0.49
NFKB1 P19838 1/20 0.49
MAPK1 P28482 1/20 0.49
GPR55 Q9Y2T6 1/20 0.49
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
PFKFB3 Q16875 1/20 0.43
KMT2A Q03164 2/20 0.41
PTGS1 P23219 3/20 0.41
PTGS2 P35354 3/20 0.41
ALOX5 P09917 3/20 0.41
MEN1 O00255 1/20 0.41
APAF1 O14727 1/20 0.40
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL2236227 1.00 RAB9A (0.49) RAB9AMAPTNPC1KDM4EJUN
Trifluoroacetic Acid SCHEMBL2238197 0.89 MAPT (0.46) RAB9AMAPTNPC1KDM4EJUN
Trifluoroacetic Acid SCHEMBL2238189 0.89 MAPT (0.46) RAB9AMAPTNPC1KDM4EJUN
SCHEMBL2238891 0.81 JUN (0.43) RAB9AMAPTNPC1KDM4EJUN
SCHEMBL2238896 0.81 JUN (0.43) RAB9AMAPTNPC1KDM4EJUN
SCHEMBL5236707 0.80 OPRM1 (0.42) MAPTTDP1CYP1A2CYP1B1USP2
SCHEMBL5236717 0.80 OPRM1 (0.42) MAPTTDP1CYP1A2CYP1B1USP2
SCHEMBL2243228 0.76 MAPT (0.47) RAB9AMAPTNPC1KDM4EJUN
SCHEMBL1936081 0.76 MAPT (0.47) RAB9AMAPTNPC1KDM4EJUN
SCHEMBL2238194 0.73 RAB9A (0.44) RAB9AMAPTNPC1KDM4EJUN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140073627-A1 BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2014-03-13 US disclosed
US-20140073627-A1 BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2014-03-13 US disclosed
US-8623859-B2 Bradykinin B1 antagonists EVOTEC AG (DE) 2014-01-07 US disclosed
US-8623859-B2 Bradykinin B1 antagonists EVOTEC AG (DE) 2014-01-07 US disclosed
US-8623859-B2 Bradykinin B1 antagonists EVOTEC AG (DE) 2014-01-07 US disclosed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 US disclosed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 US disclosed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 US disclosed
WO-2010020556-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2010-02-25 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-20140073627-A1 BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 RAB9A 2719/4885MAPT 2733/4885NPC1 2189/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 RAB9A 2507/4885MAPT 2466/4885NPC1 2117/4885

“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.