SCHEMBL25820157

SCHEMBL25820157

Cc1cc(CC(C)C)c2cc(N3CC4CCC(C3)O4)ccc2n1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SOS1 Q07889 1/20 0.34
ADAM17 P78536 2/20 0.33
KLKB1 P03952 1/20 0.33
MAP3K7 O43318 1/20 0.33
DPP4 P27487 1/20 0.33
PIK3CD O00329 1/20 0.32
MTOR P42345 1/20 0.32
HTR1A P08908 1/20 0.31
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31
RIPK1 Q13546 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
BRD4 O60885 1/20 0.31

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
SCHEMBL25820144 0.87 NPSR1 (0.48) TSHRNPSR1HTR1AHTR1DHTR1B
SCHEMBL25820165 0.83 IP6K1 (0.35) MAP3K7PIK3CDMTOR
SCHEMBL25820170 0.81 NCF1 (0.44)
SCHEMBL25820102 0.81 NCF1 (0.41)
SCHEMBL25820175 0.80 KMT2A (0.49) TSHRBRD4
SCHEMBL25820145 0.79 SYK (0.38) TSHRNPSR1MAP3K7MTOR
SCHEMBL23999801 0.78 TERT (0.44) TSHRNPSR1
SCHEMBL23999579 0.78 TSHR (0.45) TSHRNPSR1MTORBRD4
SCHEMBL25821148 0.77 MAPT (0.34) TSHRSOS1KLKB1DPP4MMP2
SCHEMBL25820146 0.77 LATS1 (0.37) TSHRMAP3K7DPP4PIK3CDBRD4

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-20230219927-A1 AKT3 MODULATORS Georgiamune Inc. 2023-07-13 US disclosed
US-20230183226-A1 AKT3 MODULATORS Georgiamune Inc. 2023-06-15 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 (2 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-20230183226-A1 AKT3 MODULATORS AKT3, AKT2, MTOR TSHR 2571/4885NPSR1 4243/4885SOS1 2267/4885
US-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA TSHR 2696/4885NPSR1 4200/4885SOS1 2123/4885

“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.