SCHEMBL1935635

SCHEMBL1935635

COC1CCN(Cc2ccc(CCNC(=O)O)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.53
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 4/20 0.48
LMNA P02545 1/20 0.48
BCHE P06276 2/20 0.46
CYP2D6 P10635 2/20 0.46
CHRM1 P11229 2/20 0.46
HTR2A P28223 2/20 0.46
MCHR1 Q99705 2/20 0.46
POLB P06746 1/20 0.45
FAAH O00519 1/20 0.45
ACHE P22303 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
TP53 P04637 1/20 0.45

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
SCHEMBL1934406 0.93 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1KDM4ELMNACYP2D6
SCHEMBL1936178 0.87 S1PR1 (0.46) SMN1; SMN2ALDH1A1KDM4EMCHR1
SCHEMBL1936450 0.85 BCHE (0.50) SMN1; SMN2ALDH1A1KDM4EBCHEPOLB
SCHEMBL1936289 0.84 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1KDM4EBCHECYP2D6
SCHEMBL1936132 0.81 MCHR1 (0.61) ALDH1A1KDM4ECYP2D6CHRM1HTR2A
SCHEMBL2276951 0.80 HRH1 (0.55) KDM4EBCHEHTR2A
SCHEMBL16581996 0.79 MC4R (0.50) SMN1; SMN2ALDH1A1KDM4ECYP2D6CHRM1
SCHEMBL1934345 0.79 MC4R (0.50) SMN1; SMN2ALDH1A1KDM4ETDP1
SCHEMBL18841353 0.79 KDM4E (0.67) SMN1; SMN2ALDH1A1KDM4E
SCHEMBL18841354 0.79 SIGMAR1 (0.51) KDM4EBCHESIGMAR1

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 5 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-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
EP-2331518-A1 NEW BRADYKININ B1 ANTAGONISTS Evotec AG (DE) 2011-06-15 EP 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 SMN1; SMN2 4510/4885ALDH1A1 3283/4885KDM4E 2806/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 SMN1; SMN2 4544/4885ALDH1A1 3363/4885KDM4E 2968/4885

“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.