SCHEMBL4716647

SCHEMBL4716647

c1ccc(Oc2cccc3[nH]ccc23)cc1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 9/20 0.69
TRPA1 O75762 2/20 0.55
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49
DRD3 P35462 1/20 0.49
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
BRD4 O60885 3/20 0.46
AHR P35869 1/20 0.46
HTR1B P28222 1/20 0.44
GOT1 P17174 1/20 0.43

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
SCHEMBL1499400 0.86 RHEB (0.73) RHEBTRPA1DRD2DRD4DRD3
SCHEMBL13915642 0.84 RHEB (0.59) RHEBTRPA1DRD2DRD4DRD3
SCHEMBL9047954 0.84 RHEB (0.72) RHEBTRPA1MEN1MAPTMAPK1
SCHEMBL20536163 0.82 RHEB (0.68) RHEBTRPA1MEN1MAPTMAPK1
SCHEMBL20535840 0.82 RHEB (1.00) RHEBTRPA1
SCHEMBL30740391 0.80 RHEB (0.55) RHEBTRPA1MEN1MAPTMAPK1
SCHEMBL21225623 0.80 RHEB (0.55) RHEBTRPA1MEN1MAPTMAPK1
SCHEMBL23709718 0.79 RHEB (0.79) RHEBTRPA1DRD2DRD4DRD3
SCHEMBL20536057 0.79 TRPA1 (0.74) RHEBTRPA1DRD2DRD4DRD3
SCHEMBL7809978 0.79 RHEB (0.54) RHEBTRPA1DRD2DRD4DRD3

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024178051-A2 TRYPTAMINE DERIVATIVES CAAMTECH, INC. (US) 2024-08-29 WO claimed
CN-121606615-A Medicine for treating colon cancer and preparation method and application thereof 华中科技大学同济医学院附属同济医院 2026-03-06 CN disclosed
WO-2024178051-A3 TRYPTAMINE DERIVATIVES CAAMTECH, INC. (US) 2024-10-17 WO disclosed
WO-2024178051-A2 TRYPTAMINE DERIVATIVES CAAMTECH, INC. (US) 2024-08-29 WO disclosed
WO-2024178051-A2 TRYPTAMINE DERIVATIVES CAAMTECH, INC. (US) 2024-08-29 WO disclosed
US-11339144-B2 Heteroaryl Rheb inhibitors and uses thereof NAVITOR PHARMACEUTICALS, INC. (US) 2022-05-24 US disclosed
US-11339144-B2 Heteroaryl Rheb inhibitors and uses thereof NAVITOR PHARMACEUTICALS, INC. (US) 2022-05-24 US disclosed
US-20210238165-A1 HETEROARYL RHEB INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. 2021-08-05 US disclosed
US-20210238165-A1 HETEROARYL RHEB INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. 2021-08-05 US disclosed
CN-109970794-B S-substituted-3-indole thiophosphate derivative and preparation method and application thereof 厦门大学 2020-07-03 CN disclosed
WO-2018191146-A1 HETEROARYL RHEB INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-10-18 WO disclosed
EP-1931631-A1 1- (1H- INDOL- 1-YL) -3- (METHYLAMINO) -1- PHENYLPROPAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF THE MONOAMINE REUPTAKE FOR THE TREATMENT OF VASOMOTOR SYMPTOMS (VMS) Wyeth a Corporation of the State of Delaware (US) 2008-06-18 EP disclosed
WO-2007041023-A1 1- (1H- INDOL- 1-YL) -3- (METHYLAMINO) -1- PHENYLPROPAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF THE MONOAMINE REUPTAKE FOR THE TREATMENT OF VASOMOTOR SYMPTOMS (VMS) WYETH (US) 2007-04-12 WO disclosed
US-20070072897-A1 Phenylaminopropanol derivatives and methods of their use WYETH (US) 2007-03-29 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 (3 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-20070072897-A1 Phenylaminopropanol derivatives and methods of their use COMT, PNMT, GLS RHEB 2200/4885TRPA1 554/4885DRD2 99/4885
US-20210238165-A1 HETEROARYL RHEB INHIBITORS AND USES THEREOF RHEB, KRAS, NRAS RHEB 1/4885TRPA1 4835/4885DRD2 4183/4885
US-11339144-B2 Heteroaryl Rheb inhibitors and uses thereof RHEB, GDI2, KRAS RHEB 1/4885TRPA1 4877/4885DRD2 4739/4885

“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.