SCHEMBL25110359

SCHEMBL25110359

CCCCN1CCN(Cc2ccc(C(C)CCC)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
HRH3 Q9Y5N1 1/20 0.47
SIGMAR1 Q99720 2/20 0.47
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
TP53 P04637 2/20 0.45
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
HPGD P15428 1/20 0.45
PLA2G2A P14555 3/20 0.43
TSHR P16473 1/20 0.42
CCR3 P51677 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL25108464 0.96 SIGMAR1 (0.48) ALDH1A1HRH3SIGMAR1NPC1RAB9A
SCHEMBL25481059 0.90 ALDH1A1 (0.51) ALDH1A1HRH3NPC1RAB9ATP53
SCHEMBL25110381 0.88 ALDH1A1 (0.50) ALDH1A1HRH3NPC1RAB9ATP53
SCHEMBL24170803 0.88 LMNA (0.54) ALDH1A1HRH3SIGMAR1NPC1RAB9A
SCHEMBL25110372 0.85 ALDH1A1 (0.43) ALDH1A1HRH3NPC1RAB9ATP53
SCHEMBL25481043 0.85 ALDH1A1 (0.43) ALDH1A1HRH3NPC1RAB9ATP53
SCHEMBL25109387 0.84 ALDH1A1 (0.43) ALDH1A1HRH3NPC1RAB9ATP53
SCHEMBL25108580 0.82 ALDH1A1 (0.46) ALDH1A1HRH3MEN1KMT2ATSHR
SCHEMBL22795016 0.82 SIGMAR1 (0.55) ALDH1A1HRH3SIGMAR1NPC1RAB9A
SCHEMBL17815468 0.81 ALDH1A1 (0.43) ALDH1A1HRH3SIGMAR1NPC1RAB9A

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-20230149549-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-05-18 US disclosed
US-20230072658-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-03-09 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-20230149549-A1 SMARCA DEGRADERS AND USES THEREOF SMARCA1, SMARCB1, SMARCE1 ALDH1A1 3473/4885HRH3 1734/4885SIGMAR1 2783/4885
US-20230072658-A1 SMARCA DEGRADERS AND USES THEREOF SMARCA1, SMARCB1, SMARCE1 ALDH1A1 3736/4885HRH3 1490/4885SIGMAR1 2336/4885

“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.