SCHEMBL30134682

SCHEMBL30134682

COc1cccc2c1OCN(CCc1ccc(OCc3ccccc3)cc1)C2

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.51
REV1 Q9UBZ9 1/20 0.49
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
RAB9A P51151 1/20 0.45
BCHE P06276 2/20 0.43
ABCB1 P08183 2/20 0.42
SIGMAR1 Q99720 1/20 0.42
KCNH2 Q12809 1/20 0.42
HTR1A P08908 3/20 0.41
DRD2 P14416 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41

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
SCHEMBL11709331 0.90 KCNH2 (0.50) SIGMAR1KCNH2HTR1ADRD2ADRA1D
SCHEMBL11708757 0.88 SIGMAR1 (0.50) HRH3ABCB1SIGMAR1ADRA1DADRA1A
Oxalic Acid SCHEMBL11719164 0.85 POLB (0.48) ABCB1SIGMAR1KCNH2HTR1ADRD2
SCHEMBL11712922 0.83 MAPT (0.45) HRH3ABCB1KCNH2ADRA1DADRA1A
SCHEMBL11715311 0.82 DHCR7 (0.49) ABCB1KCNH2ADRA1DADRA1AADRA1B
SCHEMBL11712332 0.81 CYP1A2 (0.44) KCNH2DRD2ADRA1DADRA1AADRA1B
SCHEMBL11710137 0.80 DHCR7 (0.50) ABCB1SIGMAR1ADRA1DADRA1AADRA1B
SCHEMBL29362528 0.80 DHCR7 (0.50) ABCB1SIGMAR1ADRA1DADRA1AADRA1B
SCHEMBL30166688 0.78 MAPT (0.43) HRH3SIGMAR1HTR1A
SCHEMBL11708040 0.78 CYP1A2 (0.62) REV1SIGMAR1HTR1A

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-20230150935-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CALCIUM ION HOMEOSTASIS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-05-18 US disclosed
EP-4103551-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CALCIUM ION HOMEOSTASIS The Regents of the University of California (US) 2022-12-21 EP 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-20230150935-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CALCIUM ION HOMEOSTASIS CHERP, ATP2A1, ATP2A3 HRH3 3499/4885REV1 2530/4885NPC1 352/4885

“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.