SCHEMBL2236588

SCHEMBL2236588

CNCc1ccc(C(C)N2CCCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 2/20 0.54
CYP2D6 P10635 1/20 0.44
PRMT6 Q96LA8 1/20 0.41
LTA4H P09960 1/20 0.40
MC4R P32245 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
CYP3A4 P08684 1/20 0.38
CHRM2 P08172 4/20 0.38
CHRM1 P11229 4/20 0.38
TLR7 Q9NYK1 1/20 0.38
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35

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
Hydrochloric Acid SCHEMBL2237140 0.98 NCF1 (0.53) NCF1CYP2D6PRMT6LTA4HMC4R
SCHEMBL3870988 0.83 TAAR1 (0.44) NCF1CYP2D6LTA4HMC4RKDM4E
SCHEMBL12845564 0.80 CYP2D6 (0.48) CYP2D6LTA4HMC4RCHRM2CHRM1
SCHEMBL6224926 0.79 CYP2D6 (0.47) NCF1CYP2D6PRMT6LTA4HMC4R
SCHEMBL9150656 0.78 CYP2D6 (0.56) CYP2D6LTA4HMC4RCYP3A4CHRM2
SCHEMBL3877394 0.76 CYP2D6 (0.44) CYP2D6LTA4HMC4RLOXL2KDM4E
SCHEMBL16982012 0.75 CYP2D6 (0.56) CYP2D6LTA4HMC4RMAPTCYP3A4
SCHEMBL22227886 0.75 SLC6A2 (0.48) CYP2D6LTA4HMC4RCHRM2CHRM1
SCHEMBL20832756 0.75 SLC6A2 (0.48) CYP2D6LTA4HMC4RCHRM2CHRM1
SCHEMBL3871731 0.75 CYP2D6 (0.43) CYP2D6LTA4HMC4RKDM4ECHRM2

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-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

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 NCF1 1517/4885CYP2D6 1105/4885PRMT6 2672/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 NCF1 1606/4885CYP2D6 1113/4885PRMT6 2650/4885

“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.