SCHEMBL17210451

SCHEMBL17210451

C[C@@H](CCC#N)CCc1cccc(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TAAR1 Q96RJ0 3/20 0.45
SIGMAR1 Q99720 2/20 0.39
NLRP3 Q96P20 1/20 0.37
PYCR1 P32322 1/20 0.37
IDO1 P14902 2/20 0.37
AGXT P21549 2/20 0.37
CTSB P07858 2/20 0.36
CTSS P25774 2/20 0.36
CTSK P43235 2/20 0.36
CTSL P07711 1/20 0.36

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
SCHEMBL2573264 0.80 MEN1 (0.57) MEN1KMT2ATAAR1SIGMAR1NLRP3
SCHEMBL4867233 0.80 POLB (0.44) MEN1KMT2A
SCHEMBL521090 0.80 MEN1 (0.73) MEN1KMT2ATAAR1NLRP3PYCR1
SCHEMBL2794522 0.79 MEN1 (0.55) MEN1KMT2ATAAR1SIGMAR1NLRP3
SCHEMBL13220639 0.77 TAAR1 (0.57) MEN1KMT2ATAAR1SIGMAR1PYCR1
SCHEMBL31634435 0.74 TAAR1 (0.46) MEN1KMT2ATAAR1SIGMAR1PYCR1
SCHEMBL9557375 0.72 MEN1 (0.39) MEN1KMT2ATAAR1SIGMAR1IDO1
SCHEMBL1742271 0.71 TAAR1 (0.50) MEN1KMT2ATAAR1SIGMAR1IDO1
SCHEMBL4399626 0.70 TAAR1 (0.74) TAAR1SIGMAR1IDO1AGXT
SCHEMBL591988 0.69 SIGMAR1 (0.47) TAAR1SIGMAR1PYCR1IDO1AGXT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150306086-A1 MODULATING CERTAIN TYROSINE KINASES TESARO, INC. 2015-10-29 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 (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-20150306086-A1 MODULATING CERTAIN TYROSINE KINASES ABL1, LCK, FLT3 MEN1 2235/4885KMT2A 818/4885TAAR1 3080/4885

“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.