SCHEMBL23945808

SCHEMBL23945808

COCc1ccc(CN2CCN(CC(C)C)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.46
POLB P06746 4/20 0.46
PKM P14618 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
TP53 P04637 2/20 0.43
ALDH1A1 P00352 2/20 0.43
RAB9A P51151 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HRH3 Q9Y5N1 3/20 0.42
ATM Q13315 1/20 0.42
LMNA P02545 3/20 0.42
CACNA1G O43497 1/20 0.41
KCNH2 Q12809 1/20 0.41
MAPK1 P28482 2/20 0.41
HTT P42858 2/20 0.41
USP2 O75604 1/20 0.41

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
SCHEMBL23945807 0.85 NPC1 (0.42) SIGMAR1POLBPKMSMN1; SMN2NPC1
SCHEMBL23806983 0.84 SMN1; SMN2 (0.46) SIGMAR1POLBPKMSMN1; SMN2NPC1
SCHEMBL20034212 0.83 SIGMAR1 (0.68) SIGMAR1POLBPKMSMN1; SMN2ALDH1A1
SCHEMBL23946040 0.83 ALDH1A1 (0.40) SIGMAR1POLBPKMSMN1; SMN2NPC1
SCHEMBL24672537 0.81 NPC1 (0.46) SIGMAR1SMN1; SMN2NPC1TP53ALDH1A1
SCHEMBL22790807 0.81 ALDH1A1 (0.65) SIGMAR1POLBSMN1; SMN2NPC1TP53
SCHEMBL21587353 0.81 LMNA (0.62) SIGMAR1NPC1TP53ALDH1A1RAB9A
SCHEMBL21587322 0.80 HRH3 (0.65) ALDH1A1KDM4EMEN1KMT2AHRH3
SCHEMBL24673562 0.79 ALDH1A1 (0.41) SIGMAR1POLBPKMSMN1; SMN2NPC1
SCHEMBL1126489 0.79 SIGMAR1 (0.69) SIGMAR1POLBKDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303526-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-09-28 US disclosed
US-20230158157-A1 POTENT AND SELECTIVE DEGRADERS OF ALK DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-05-25 US disclosed
US-20230132715-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-05-04 US disclosed
US-11352350-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2022-06-07 US disclosed
US-20210323952-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2021-10-21 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 (5 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-20230132715-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 SIGMAR1 3199/4885POLB 2088/4885PKM 1372/4885
US-20230158157-A1 POTENT AND SELECTIVE DEGRADERS OF ALK ALK, ERBB2, PDGFRB SIGMAR1 2575/4885POLB 1386/4885PKM 2409/4885
US-11352350-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 SIGMAR1 3199/4885POLB 2088/4885PKM 1372/4885
US-20210323952-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 SIGMAR1 3199/4885POLB 2088/4885PKM 1372/4885
US-20230303526-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 SIGMAR1 3199/4885POLB 2088/4885PKM 1372/4885

“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.