SCHEMBL23920920

SCHEMBL23920920

CCCCCC(CC)N1CCN(CC)CC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
GNAI3 P08754 1/20 0.32
GNAO1 P09471 1/20 0.32
GNAI1 P63096 1/20 0.32
FDPS P14324 4/20 0.31
OPRM1 P35372 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
USP2 O75604 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
SCHEMBL23920726 0.98 NPC1 (0.36) MEN1KMT2ANPC1RAB9AGNAI3
SCHEMBL19286076 0.90 NPC1 (0.38) MEN1KMT2ANPC1RAB9AGNAI3
SCHEMBL11644117 0.88 FDPS (0.39) FDPSOPRM1
SCHEMBL11643350 0.88 FDPS (0.39) FDPSOPRM1
SCHEMBL9419611 0.88 FDPS (0.39) FDPSOPRM1
SCHEMBL22571312 0.87 NPC1 (0.36) MEN1KMT2ANPC1RAB9AGNAI3
SCHEMBL23921031 0.86 ALDH1A1 (0.33) MEN1KMT2AKDM4EALDH1A1TDP1
SCHEMBL17327899 0.86 MEN1 (0.40) MEN1KMT2ANPC1RAB9AGNAI3
SCHEMBL25094026 0.82 OPRM1 (0.37) FDPSOPRM1
SCHEMBL24933116 0.82 OPRM1 (0.34) MEN1KMT2AFDPSOPRM1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312498-A1 NON-ATP/CATALYTIC SITE p38 MITOGEN ACTIVATED PROTEIN KINASE INHIBITORS UNIVERSITY OF MARYLAND, BALTIMORE 2023-10-05 US disclosed
US-11718595-B2 Non-ATP/catalytic site p38 Mitogen Activated Protein Kinase inhibitors UNIVERSITY OF MARYLAND, BALTIMORE (US) 2023-08-08 US disclosed
US-20210317097-A1 NON-ATP/CATALYTIC SITE p38 MITOGEN ACTIVATED PROTEIN KINASE INHIBITORS UNIVERSITY OF MARYLAND, BALTIMORE 2021-10-14 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 (3 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-20210317097-A1 NON-ATP/CATALYTIC SITE p38 MITOGEN ACTIVATED PROTEIN KINASE INHIBITORS MAPK1, MAPK8, MAPK4 MEN1 4385/4885KMT2A 3519/4885NPC1 1643/4885
US-20230312498-A1 NON-ATP/CATALYTIC SITE p38 MITOGEN ACTIVATED PROTEIN KINASE INHIBITORS MAPK1, MAPK8, MAPK4 MEN1 4385/4885KMT2A 3519/4885NPC1 1643/4885
US-11718595-B2 Non-ATP/catalytic site p38 Mitogen Activated Protein Kinase inhibitors MAPK1, MAPK8, MAPK4 MEN1 4385/4885KMT2A 3519/4885NPC1 1643/4885

“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.