SCHEMBL16610540

SCHEMBL16610540

CCc1c(O)nc(N2CCC[C@H]2c2ccc(C)cc2)nc1COC

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.35
MAOB P27338 3/20 0.35
ALDH1A1 P00352 2/20 0.32
PSMD14 O00487 1/20 0.32
LMNA P02545 1/20 0.32
MMP2 P08253 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PRKCZ Q05513 1/20 0.32
ROCK2 O75116 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PROKR1 Q8TCW9 1/20 0.31
CYP19A1 P11511 1/20 0.31
AADAT Q8N5Z0 1/20 0.31

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
SCHEMBL28003809 0.89 CFB (0.32) ALDH1A1AADAT
SCHEMBL16610660 0.88 CYP19A1 (0.36) MAOAMAOBALDH1A1PSMD14LMNA
SCHEMBL16610854 0.79 DRD2 (0.38)
SCHEMBL16610681 0.78 ALDH1A1 (0.39) MAOAMAOBALDH1A1LMNAPRKCZ
SCHEMBL16610534 0.78 ALDH1A1 (0.39) MAOAMAOBALDH1A1LMNAPRKCZ
SCHEMBL16610752 0.78 CYP19A1 (0.40) MAOAMAOBPRKCZCYP19A1
SCHEMBL16610857 0.75 KDR (0.36)
SCHEMBL16754710 0.75 KDR (0.36)
SCHEMBL28003803 0.70 DRD2 (0.36)
SCHEMBL16610804 0.69 DRD2 (0.42)

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 MAOA 738/4885MAOB 893/4885ALDH1A1 1015/4885
US-20170143722-A1 SUBSTITUTED PYRROLIDINES AS ROS TYROSINE KINASE INHIBITORS ROS1, NOX4, NOX3 MAOA 1404/4885MAOB 1471/4885ALDH1A1 1052/4885

“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.