SCHEMBL25844353

SCHEMBL25844353

CC(C)CC(=O)NC1CCN(C(C)C)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
ACKR3 P25106 2/20 0.48
HRH3 Q9Y5N1 6/20 0.46
CYP2D6 P10635 2/20 0.46
KDM5A P29375 1/20 0.43
MAPT P10636 1/20 0.41
CYP3A4 P08684 2/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 1/20 0.41
F10 P00742 4/20 0.40
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTR4 Q13639 1/20 0.39

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
SCHEMBL25443831 0.90 KDM5A (0.47) ALDH1A1ACKR3HRH3CYP2D6KDM5A
SCHEMBL23798956 0.90 KDM5A (0.47) ALDH1A1ACKR3HRH3CYP2D6KDM5A
SCHEMBL25443832 0.90 KDM5A (0.47) ALDH1A1ACKR3HRH3CYP2D6KDM5A
SCHEMBL12719747 0.84 ALDH1A1 (0.50) ALDH1A1ACKR3HRH3CYP2D6KDM5A
SCHEMBL12413710 0.84 SIGMAR1 (0.45) ALDH1A1ACKR3KDM5ACYP3A4HPGD
SCHEMBL7088489 0.83 ACKR3 (0.52) ALDH1A1ACKR3HRH3CYP2D6MAPT
SCHEMBL18199497 0.83 RAB9A (0.49) KDM5ACYP3A4HPGDCYP2C19RAB9A
SCHEMBL5067337 0.83 RAB9A (0.49) KDM5ACYP3A4HPGDCYP2C19RAB9A
SCHEMBL13300923 0.83 ALDH1A1 (0.49) ALDH1A1ACKR3HRH3CYP2D6MAPT
SCHEMBL24712366 0.82 KDM5A (0.40) ALDH1A1ACKR3HRH3KDM5ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230372496-A1 TRICYCLIC HETEROBIFUNCTIONAL COMPOUNDS FOR DEGRADATION OF TARGETED PROTEINS C4 THERAPEUTICS, INC. (US) 2023-11-23 US disclosed
US-20230233692-A1 COMPOUNDS FOR TARGETED DEGRADATION OF RET C4 THERAPEUTICS, INC. (US) 2023-07-27 US disclosed
US-11691972-B2 Compounds for targeted degradation of BRD9 C4 THERAPEUTICS, INC. (US) 2023-07-04 US disclosed
US-11673902-B2 Isoindolinone and indazole compounds for the degradation of EGFR C4 THERAPEUTICS, INC. (US) 2023-06-13 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 (4 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-20230372496-A1 TRICYCLIC HETEROBIFUNCTIONAL COMPOUNDS FOR DEGRADATION OF TARGETED PROTEINS CRBN, CDR2, MDM2 ALDH1A1 4099/4885ACKR3 3923/4885HRH3 3345/4885
US-20230233692-A1 COMPOUNDS FOR TARGETED DEGRADATION OF RET RET, HRAS, RBX1 ALDH1A1 3400/4885ACKR3 3200/4885HRH3 2249/4885
US-11673902-B2 Isoindolinone and indazole compounds for the degradation of EGFR EGFR, ERBB2, ERBB3 ALDH1A1 2283/4885ACKR3 3126/4885HRH3 2838/4885
US-11691972-B2 Compounds for targeted degradation of BRD9 BRD9, BRD1, BRWD1 ALDH1A1 4230/4885ACKR3 4426/4885HRH3 3375/4885

“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.