SCHEMBL24329965

SCHEMBL24329965

c1ccc2c(c1)ncn2C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.57
CYP11B2 P19099 3/20 0.57
HCAR1 Q9BXC0 1/20 0.51
PI4KA P42356 1/20 0.43
PI4K2B Q8TCG2 1/20 0.43
PI4K2A Q9BTU6 1/20 0.43
PI4KB Q9UBF8 1/20 0.43
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
IKZF3 Q9UKT9 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TSHR P16473 2/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HTT P42858 2/20 0.40
LMNA P02545 2/20 0.38
STAT6 P42226 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
OPRM1 P35372 2/20 0.38
OPRD1 P41143 2/20 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
SCHEMBL31321057 1.00 CYP11B1 (0.57) CYP11B1CYP11B2HCAR1PI4KAPI4K2B
SCHEMBL24345252 0.90 CYP11B1 (0.48) CYP11B1CYP11B2HCAR1PI4KAPI4K2B
SCHEMBL15353266 0.74 CDK4 (0.38) CYP11B1CYP11B2HCAR1PI4KAPI4K2B
SCHEMBL2546299 0.73 CYP11B1 (0.54) CYP11B1CYP11B2SMN1; SMN2TDP1HTT
SCHEMBL27934023 0.70 MAPK1 (0.44) CYP11B1CYP11B2SMN1; SMN2TSHRMAPK1
SCHEMBL22159521 0.69 HTT (0.46) CYP11B1CYP11B2DDB1CRBNIKZF3
SCHEMBL2194142 0.69 HCAR1 (0.50) CYP11B1CYP11B2HCAR1PI4KAPI4K2B
Amantadine SCHEMBL6561833 0.68 CYP11B1 (0.48) CYP11B1CYP11B2DDB1CRBNIKZF3
SCHEMBL24783187 0.68 DDB1 (0.49) CYP11B1CYP11B2HCAR1DDB1CRBN
SCHEMBL10668441 0.68 PI4KA (0.55) CYP11B1CYP11B2HCAR1PI4KAPI4K2B

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-11691135-B2 Synthesis of alkynones via carbonylative Sonogashira coupling reactions catalyzed by Pd(II)-N-Heterocyclic carbene-pyridine complexes KING FAHD UNIVERSITY OF PETROLEUM & MINERALS (SA) 2023-07-04 US disclosed
WO-2022081953-A1 SYNTHESIS OF ALKYNONES VIA CARBONYLATIVE SONOGASHIRA COUPLING REACTIONS CATALYZED BY PD(II)-N-HETEROCYCLIC CARBENE-PYRIDINE COMPLEXES SAUDI ARABIAN OIL COMPANY (SA) 2022-04-21 WO 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-11691135-B2 Synthesis of alkynones via carbonylative Sonogashira coupling reactions catalyzed by Pd(II)-N-Heterocyclic carbene-pyridine complexes PDK2, SNCA, YAP1 CYP11B1 978/4885CYP11B2 273/4885HCAR1 4508/4885

“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.