SCHEMBL25567947

SCHEMBL25567947

CC(C)CCN1CCCN(CCOC(C)C)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.37
▸ KDM1A O60341 1/20 0.35
▸ PSMB1 P20618 1/20 0.35
▸ PSMB5 P28074 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ SLC22A1 O15245 1/20 0.35
▸ CHRM2 P08172 1/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ ADRA2A P08913 1/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ DRD1 P21728 1/20 0.35
▸ TBXA2R P21731 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ ADRA1A P35348 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
SCHEMBL25567955 0.94 KDM1A (0.38) SIGMAR1KDM1ATSHRSLC6A4SLC6A3
SCHEMBL10196944 0.88 PSMB1 (0.41) SIGMAR1KDM1APSMB1PSMB5CYP1A2
SCHEMBL8068190 0.84 PSMB1 (0.44) SIGMAR1KDM1APSMB1PSMB5CYP1A2
SCHEMBL22296937 0.84 KDM1A (0.42) SIGMAR1KDM1ACYP1A2CYP2D6TSHR
SCHEMBL23986708 0.83 HSD11B1 (0.36) PSMB1PSMB5TSHRLMNA
SCHEMBL15316722 0.83 CHKA (0.40) SIGMAR1KDM1APSMB1PSMB5CYP1A2
SCHEMBL21421592 0.83 SMN1; SMN2 (0.37) SIGMAR1KDM1ACYP1A2CYP2D6TSHR
SCHEMBL9917381 0.82 PSMB1 (0.47) KDM1APSMB1PSMB5CYP1A2CYP3A4
SCHEMBL1698707 0.82 PSMB1 (0.47) KDM1APSMB1PSMB5CYP1A2CYP3A4
SCHEMBL441047 0.82 — —

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-20230167105-A1 BCL-2 PROTEIN INHIBITORS RECURIUM IP HOLDINGS, LLC 2023-06-01 — — US disclosed
US-20230167105-A1 BCL-2 PROTEIN INHIBITORS RECURIUM IP HOLDINGS, LLC 2023-06-01 — — 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 (1 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-20230167105-A1 BCL-2 PROTEIN INHIBITORS BCL2, BCL2L1, BCL2L2 SIGMAR1 4371/4885KDM1A 2268/4885PSMB1 1195/4885

“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.

Send feedback