SCHEMBL22451589

SCHEMBL22451589

CC(C)C1CC[C@@H](c2cccc(F)c2)N1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 1/20 0.39
CA1 P00915 1/20 0.37
KCNH2 Q12809 2/20 0.37
SCN3A Q9NY46 1/20 0.37
KDM1A O60341 1/20 0.36
RCOR1 Q9UKL0 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
PKM P14618 1/20 0.35
RIPK1 Q13546 1/20 0.35
SLC6A2 P23975 2/20 0.34
SLC6A3 Q01959 2/20 0.34
TAAR1 Q96RJ0 1/20 0.34
SLC6A4 P31645 1/20 0.34
IDO1 P14902 1/20 0.34
HTR6 P50406 2/20 0.34

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
SCHEMBL20843431 1.00 GRIA4 (0.39) GRIA4CA1KCNH2SCN3AKDM1A
SCHEMBL19803456 1.00 GRIA4 (0.39) GRIA4CA1KCNH2SCN3AKDM1A
SCHEMBL22039437 0.80 KCNH2 (0.42) KCNH2SCN3AKDM1ASLC6A2SLC6A3
SCHEMBL24350916 0.80 KCNH2 (0.42) KCNH2SCN3AKDM1ASLC6A2SLC6A3
SCHEMBL22039709 0.80 KCNH2 (0.42) KCNH2SCN3AKDM1ASLC6A2SLC6A3
SCHEMBL20835644 0.80 CALCRL (0.39) GRIA4KCNH2SCN3ARIPK1
SCHEMBL20835647 0.80 CALCRL (0.39) GRIA4KCNH2SCN3ARIPK1
SCHEMBL19803651 0.80 CALCRL (0.39) GRIA4KCNH2SCN3ARIPK1
SCHEMBL20843553 0.80 CALCRL (0.39) GRIA4KCNH2SCN3ARIPK1
SCHEMBL23501948 0.80 MEN1 (0.45) KCNH2SCN3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10995084-B2 Pyrrolidine derivative KISSEI PHARMACEUTICAL CO., LTD. (JP) 2021-05-04 US disclosed
US-20200299273-A1 PYRROLIDINE DERIVATIVE KISSEI PHARMACEUTICAL CO., LTD. (JP) 2020-09-24 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 (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-20200299273-A1 PYRROLIDINE DERIVATIVE CALCRL, NPY1R, GRPR GRIA4 147/4885CA1 4354/4885KCNH2 292/4885
US-10995084-B2 Pyrrolidine derivative CALCRL, NPY1R, GRPR GRIA4 147/4885CA1 4354/4885KCNH2 292/4885

“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.