SCHEMBL22326393

SCHEMBL22326393

CC(C)N1CCN(CCCC(C)N2CCN(C)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.42
PAOX Q6QHF9 1/20 0.37
DAO P14920 1/20 0.36
HRH3 Q9Y5N1 3/20 0.36
SLC6A4 P31645 1/20 0.36
SLC2A1 P11166 1/20 0.36
KDM1A O60341 1/20 0.36
MAOA P21397 3/20 0.35
SIGMAR1 Q99720 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL18897641 1.00 MAOB (0.42) MAOBPAOXDAOHRH3SLC6A4
SCHEMBL23919485 0.87 MAOB (0.41) MAOBDAOSLC2A1KDM1ASIGMAR1
SCHEMBL26381190 0.87 PAOX (0.36) PAOXKDM1ASIGMAR1KDM4EMEN1
SCHEMBL20850613 0.86 MAOB (0.40) MAOBDAOHRH3SLC6A4SLC2A1
SCHEMBL24309020 0.86 MAOB (0.40) MAOBDAOHRH3SLC2A1KDM1A
SCHEMBL22337368 0.84 MAOB (0.39) MAOBDAOHRH3SLC2A1KDM1A
SCHEMBL23489955 0.84 MAOB (0.39) MAOBDAOSLC2A1KDM1AMAOA
SCHEMBL23132687 0.84 MC4R (0.36) MAOBDAOHRH3KDM1AKDM4E
SCHEMBL8975798 0.82 MAOB (0.40) MAOBHRH3KDM4EMEN1KMT2A
SCHEMBL25700799 0.82 KDM4E (0.40) PAOXKDM1ASIGMAR1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11718595-B2 Non-ATP/catalytic site p38 Mitogen Activated Protein Kinase inhibitors UNIVERSITY OF MARYLAND, BALTIMORE (US) 2023-08-08 US disclosed
US-20230140941-A1 NON-ATP/CATALYTIC SITE P38 MITOGEN ACTIVATED PROTEIN KINASE INHIBITORS THE UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS 2023-05-11 US disclosed
US-11236082-B2 EZH2 inhibitors and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-02-01 US disclosed
US-20210317097-A1 NON-ATP/CATALYTIC SITE p38 MITOGEN ACTIVATED PROTEIN KINASE INHIBITORS UNIVERSITY OF MARYLAND, BALTIMORE 2021-10-14 US disclosed
US-11078171-B2 Non-ATP/catalytic site p38 mitogen activated protein kinase inhibitors UNIVERSITY OF MARYLAND, BALTIMORE (US) 2021-08-03 US disclosed
US-20200331874-A1 NON-ATP/CATALYTIC SITE p38 MITOGEN ACTIVATED PROTEIN KINASE INHIBITORS UNIVERSITY OF MARYLAND, BALTIMORE 2020-10-22 US disclosed
US-10736904-B2 Thienopyrimidine derivatives, processes for the preparation thereof and therapeutic uses thereof SANOFI (FR) 2020-08-11 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 (7 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-20230140941-A1 NON-ATP/CATALYTIC SITE P38 MITOGEN ACTIVATED PROTEIN KINASE INHIBITORS MAPK1, MAPK8, MAPK4 MAOB 4365/4885PAOX 1632/4885DAO 3167/4885
US-11078171-B2 Non-ATP/catalytic site p38 mitogen activated protein kinase inhibitors MAPK1, MAPK8, MAPK4 MAOB 4543/4885PAOX 1461/4885DAO 3236/4885
US-20210317097-A1 NON-ATP/CATALYTIC SITE p38 MITOGEN ACTIVATED PROTEIN KINASE INHIBITORS MAPK1, MAPK8, MAPK4 MAOB 4543/4885PAOX 1461/4885DAO 3236/4885
US-10736904-B2 Thienopyrimidine derivatives, processes for the preparation thereof and therapeutic uses thereof DPYD, TYMP, DHFR MAOB 129/4885PAOX 2071/4885DAO 1164/4885
US-11718595-B2 Non-ATP/catalytic site p38 Mitogen Activated Protein Kinase inhibitors MAPK1, MAPK8, MAPK4 MAOB 4543/4885PAOX 1461/4885DAO 3236/4885
US-11236082-B2 EZH2 inhibitors and uses thereof EZH2, EZH1, BMI1 MAOB 2073/4885PAOX 2103/4885DAO 3310/4885
US-20200331874-A1 NON-ATP/CATALYTIC SITE p38 MITOGEN ACTIVATED PROTEIN KINASE INHIBITORS MAPK1, MAPK8, MAPK4 MAOB 4543/4885PAOX 1461/4885DAO 3236/4885

“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.