SCHEMBL17828013

SCHEMBL17828013

CC(C)CN1CCN(c2ccncc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.52
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
GFER P55789 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CYP2D6 P10635 2/20 0.48
CYP3A4 P08684 1/20 0.48
ADRB2 P07550 1/20 0.47
NCF1 P14598 1/20 0.47
PLD1 Q13393 1/20 0.47
SLC6A3 Q01959 1/20 0.46
HRH3 Q9Y5N1 4/20 0.45
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45
PRKCI P41743 1/20 0.44
SPHK1 Q9NYA1 1/20 0.43
HRH2 P25021 1/20 0.43
HRH1 P35367 1/20 0.43
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42

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
SCHEMBL8837956 0.82 CHKA (0.44) CHKAALDH1A1KDM4EGFERL3MBTL1
SCHEMBL1100438 0.81 ALDH1A1 (0.72) ALDH1A1KDM4EGFERL3MBTL1CYP2D6
SCHEMBL4712908 0.79 CHRNA7 (0.66) CHKAKDM4EGFERADRB2NCF1
SCHEMBL12535863 0.79 IGF1R (0.56) ALDH1A1KDM4EGFERL3MBTL1
SCHEMBL5741708 0.79 MAPT (0.66) ALDH1A1KDM4EGFERL3MBTL1ADRA2A
SCHEMBL23866004 0.79 MAPT (0.54) ALDH1A1KDM4EGFERL3MBTL1
SCHEMBL2767049 0.79 KDM4E (0.61) ALDH1A1KDM4EGFERL3MBTL1ADRA2A
SCHEMBL6245192 0.79 IGF1R (0.56) ALDH1A1KDM4EGFERL3MBTL1
SCHEMBL381420 0.78 CACNA1G (0.54) ALDH1A1KDM4EGFERL3MBTL1
SCHEMBL28112415 0.78 CHKA (0.80) CHKAKDM4ECYP2D6CYP3A4ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230057341-A1 HETEROCYCLIC RIP1 KINASE INHIBITORS RIGEL PHARMACEUTICALS, INC. 2023-02-23 US disclosed
US-11548870-B2 Compounds useful as inhibitors of helios protein BRISTOL-MYERS SQUIBB COMPANY (US) 2023-01-10 US disclosed
US-20210147383-A1 COMPOUNDS USEFUL AS INHIBITORS OF HELIOS PROTEIN BRISTOL-MYERS SQUIBB COMPANY 2021-05-20 US disclosed
US-9586951-B2 Morpholine derivative or salt thereof FUJIFILM CORPORATION (JP) 2017-03-07 US disclosed
US-9586951-B2 Morpholine derivative or salt thereof FUJIFILM CORPORATION (JP) 2017-03-07 US disclosed
EP-3042900-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF Fujifilm Corporation (JP) 2016-07-13 EP disclosed
US-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2016-06-16 US disclosed
US-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2016-06-16 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 (4 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-20210147383-A1 COMPOUNDS USEFUL AS INHIBITORS OF HELIOS PROTEIN IKZF2, RPL6, HNRNPR CHKA 3402/4885ALDH1A1 3947/4885KDM4E 2957/4885
US-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF PRMT7, RBBP7, RER1 CHKA 3280/4885ALDH1A1 2519/4885KDM4E 2666/4885
US-20230057341-A1 HETEROCYCLIC RIP1 KINASE INHIBITORS RIPK1, RIPK2, RIPK3 CHKA 1013/4885ALDH1A1 4559/4885KDM4E 3266/4885
US-11548870-B2 Compounds useful as inhibitors of helios protein IKZF2, RPL6, HNRNPR CHKA 3402/4885ALDH1A1 3947/4885KDM4E 2957/4885

“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.