SCHEMBL16610538

SCHEMBL16610538

COc1cc(C)ccc1C1CCCN1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.73
KMT2A Q03164 1/20 0.73
PDCD1LG2 Q9BQ51 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
ACHE P22303 1/20 0.43
HSD11B1 P28845 1/20 0.42
KCNH2 Q12809 1/20 0.41
HTR2A P28223 3/20 0.41
CHRM2 P08172 3/20 0.41
CHRM4 P08173 2/20 0.41
CHRM5 P08912 2/20 0.41
CHRM1 P11229 2/20 0.41
CHRM3 P20309 2/20 0.41
HTR2C P28335 1/20 0.40
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39

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
SCHEMBL3328962 0.84 MEN1 (1.00) MEN1KMT2APDCD1LG2CD274HSD11B1
SCHEMBL22040843 0.83 MEN1 (0.71) MEN1KMT2APDCD1LG2CD274HSD11B1
SCHEMBL23891964 0.82 MEN1 (0.69) MEN1KMT2APDCD1LG2CD274HSD11B1
SCHEMBL6180379 0.80 MEN1 (0.50) MEN1KMT2APDCD1LG2CD274KCNH2
SCHEMBL31444359 0.80 MEN1 (0.50) MEN1KMT2APDCD1LG2CD274KCNH2
SCHEMBL167408 0.80 MEN1 (0.50) MEN1KMT2APDCD1LG2CD274KCNH2
SCHEMBL19580279 0.80 MEN1 (0.66) MEN1KMT2APDCD1LG2CD274HSD11B1
SCHEMBL21491464 0.79 MEN1 (0.89) MEN1KMT2A
SCHEMBL31472389 0.79 MEN1 (0.89) MEN1KMT2A
SCHEMBL23323077 0.79 MEN1 (0.65) MEN1KMT2APDCD1LG2CD274HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170143722-A1 SUBSTITUTED PYRROLIDINES AS ROS TYROSINE KINASE INHIBITORS NIPPON SHINYAKU CO., LTD. (JP) 2017-05-25 US disclosed
US-9580413-B2 Substituted pyrrolidines as ROS tyrosine kinase inhibitors NIPPON SHINYAKU CO., LTD. (JP) 2017-02-28 US disclosed
US-20150152095-A1 AROMATIC HETEROCYCLIC DERIVATIVE AND PHARMACEUTICAL NIPPON SHINYAKU CO., LTD. (JP) 2015-06-04 US disclosed
EP-2857398-A1 AROMATIC HETEROCYCLIC DERIVATIVE AND PHARMACEUTICAL Nippon Shinyaku Co., Ltd. (JP) 2015-04-08 EP 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-20150152095-A1 AROMATIC HETEROCYCLIC DERIVATIVE AND PHARMACEUTICAL HRH4, CYP3A4, CYP3A5 MEN1 1167/4885KMT2A 2423/4885PDCD1LG2 4285/4885
US-20170143722-A1 SUBSTITUTED PYRROLIDINES AS ROS TYROSINE KINASE INHIBITORS ROS1, NOX4, NOX3 MEN1 4343/4885KMT2A 2202/4885PDCD1LG2 1345/4885

“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.