SCHEMBL2242597

SCHEMBL2242597

CC(C)CNCc1ccc(CCN)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 8/20 0.52
CYP1A2 P05177 2/20 0.47
CYP2A6 P11509 2/20 0.47
CA2 P00918 3/20 0.43
HTR2A P28223 3/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
SLC6A2 P23975 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTR3A P46098 1/20 0.42
BACE1 P56817 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
OPRM1 P35372 1/20 0.41
OPRK1 P41145 1/20 0.41
CYP2D6 P10635 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL23560358 0.85 TAAR1 (0.47) TAAR1CYP1A2CYP2A6HTR2AALDH1A1
SCHEMBL18232432 0.84 ANPEP (0.54) CYP1A2CA2ALDH1A1BACE1OPRM1
SCHEMBL18232477 0.84 ANPEP (0.54) CYP1A2CA2ALDH1A1L3MBTL1OPRM1
SCHEMBL24673819 0.82 L3MBTL1 (0.44) CYP1A2CA2ALDH1A1L3MBTL1OPRM1
SCHEMBL25479303 0.79 LMNA (0.57) CYP1A2CA2ALDH1A1L3MBTL1OPRM1
SCHEMBL22794506 0.79 TAAR1 (0.50) TAAR1CYP1A2CA2ALDH1A1KDM4E
SCHEMBL22856392 0.79 L3MBTL1 (0.46) CYP1A2CA2ALDH1A1CYP2C19L3MBTL1
SCHEMBL23945721 0.78 L3MBTL1 (0.45) CYP1A2CA2HTR2AALDH1A1KDM4E
SCHEMBL25923261 0.78 L3MBTL1 (0.53) CYP1A2CA2ALDH1A1KDM4ECYP2C19
SCHEMBL12659603 0.78 CHRM2 (0.53) CYP1A2CA2ALDH1A1KDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022125790-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2022-06-16 WO disclosed
WO-2021127190-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed
WO-2021127278-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed
WO-2020264490-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2020-12-30 WO 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-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 TAAR1 295/4885CYP1A2 1001/4885CYP2A6 1510/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 TAAR1 271/4885CYP1A2 1046/4885CYP2A6 1445/4885

“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.