SCHEMBL24375671

SCHEMBL24375671

CC(C)C1CCCCCCCN1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 13/20 0.47
SLC6A4 P31645 13/20 0.47
SLC6A3 Q01959 13/20 0.47
HIF1A Q16665 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL18531650 1.00 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3HIF1AHSD17B10
SCHEMBL7897603 1.00 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3HIF1AHSD17B10
SCHEMBL13416392 0.97
SCHEMBL320423 0.97
SCHEMBL14038810 0.97
Bromide SCHEMBL11542096 0.95 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3HIF1AHSD17B10
SCHEMBL4762840 0.90
SCHEMBL1104709 0.90
SCHEMBL489437 0.90
Hydrochloric Acid SCHEMBL25314974 0.87

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
WO-2023192961-A2 LIGAND-PAYLOAD CONJUGATES PYXIS ONCOLOGY, INC. (US) 2023-10-05 WO disclosed
US-20220127271-A1 NITROGEN-CONTAINING FUSED HETEROCYCLIC SHP2 INHIBITOR COMPOUND, PREPARATION METHOD, AND USE SHANGHAI RINGENE BIOPHARMA CO., LTD. (CN) 2022-04-28 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-20220127271-A1 NITROGEN-CONTAINING FUSED HETEROCYCLIC SHP2 INHIBITOR COMPOUND, PREPARATION METHOD, AND USE PTPN1, PTPN7, PTPN9 SLC6A2 4331/4885SLC6A4 4250/4885SLC6A3 4102/4885

“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.