SCHEMBL29316649

SCHEMBL29316649

CC(C)OCCCN1CCN(CCOC(C)C)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
TP53 P04637 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
MAPT P10636 2/20 0.40
CYP2C9 P11712 2/20 0.40
TSHR P16473 2/20 0.40
NFKB1 P19838 2/20 0.40
SLC6A2 P23975 2/20 0.40
MAPK1 P28482 2/20 0.40
SLC6A4 P31645 2/20 0.40
CYP2C19 P33261 2/20 0.40
THPO P40225 2/20 0.40
MTOR P42345 2/20 0.40
RAB9A P51151 2/20 0.40
SLC6A3 Q01959 2/20 0.40
HIF1A Q16665 2/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL26741730 0.96 MEN1 (0.41) SMN1; SMN2TP53RAB9AMEN1KMT2A
SCHEMBL22296937 0.91 KDM1A (0.42) SIGMAR1SMN1; SMN2TP53CYP1A2CYP2D6
SCHEMBL2621578 0.89 HRH3 (0.42) SIGMAR1RAB9AMEN1KMT2AALDH1A1
SCHEMBL26744659 0.88 HRH2 (0.36) SIGMAR1SMN1; SMN2TP53CYP1A2CYP2D6
SCHEMBL26801109 0.88 MEN1 (0.37) MEN1KMT2AALDH1A1LMNAKCNH2
SCHEMBL12448066 0.88 MAPK1 (0.45) MAPK1RAB9AMEN1KMT2AALDH1A1
SCHEMBL9917280 0.87 MEN1 (0.50) CYP2D6MAPTCYP2C19MEN1KMT2A
SCHEMBL22509507 0.87 MEN1 (0.46) SIGMAR1CYP2D6MAPTCYP2C19MEN1
SCHEMBL12448063 0.86 MAOB (0.43) SLC6A4MEN1KMT2AKDM1A
SCHEMBL21421592 0.86 SMN1; SMN2 (0.37) SIGMAR1SMN1; SMN2TP53CYP1A2CYP2D6

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-20240238423-A9 TETRAHYDROISOQUINOLINE HETEROBIFUNCTIONAL BCL-XL DEGRADERS Treeline Biosciences, Inc. 2024-07-18 US disclosed
US-20240238423-A9 TETRAHYDROISOQUINOLINE HETEROBIFUNCTIONAL BCL-XL DEGRADERS Treeline Biosciences, Inc. 2024-07-18 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-20240238423-A9 TETRAHYDROISOQUINOLINE HETEROBIFUNCTIONAL BCL-XL DEGRADERS BCL2A1, BCL2L1, BCL3 SIGMAR1 3279/4885SMN1; SMN2 2604/4885TP53 104/4885

“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.