SCHEMBL2221167

SCHEMBL2221167

CCn1cc(-n2ccc(=O)c(Cc3cccc(N(CCN4CCOCC4)C(=O)O)c3)n2)cn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.35
SIGMAR1 Q99720 3/20 0.34
OPRM1 P35372 1/20 0.33
EPHX2 P34913 2/20 0.33
BRD4 O60885 2/20 0.33
CREBBP Q92793 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
QPCT Q16769 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL13274618 0.95 CASR (0.34) CASRSIGMAR1OPRM1EPHX2BRD4
SCHEMBL13275099 0.92 CASR (0.36) CASRSIGMAR1OPRM1EPHX2HDAC1
SCHEMBL13275475 0.92 CASR (0.35) CASRSIGMAR1EPHX2BRD4HDAC1
SCHEMBL2365229 0.91 CCNC (0.34) CASRSIGMAR1EPHX2PARP1BTK
SCHEMBL2222897 0.88 SMN1; SMN2 (0.36) HDAC1HDAC8HDAC6SMN1; SMN2L3MBTL1
SCHEMBL2221211 0.86 MEN1 (0.34) CREBBPSMN1; SMN2KDM4EMEN1ALDH1A1
SCHEMBL13275002 0.84 CASR (0.36) CASRSIGMAR1EPHX2SMN1; SMN2L3MBTL1
SCHEMBL2362780 0.84 OPRM1 (0.36) SIGMAR1OPRM1MEN1KMT2APARP1
SCHEMBL13275143 0.84 OXTR (0.33) SMN1; SMN2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL2219801 0.84 IRAK1 (0.33) SIGMAR1OPRM1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US claimed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US disclosed
WO-2011084402-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 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 (1 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-20120264735-A1 TYROSINE KINASE INHIBITORS ABL1, MET, ERBB2 CASR 2573/4885SIGMAR1 3491/4885OPRM1 2711/4885

“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.