SCHEMBL25820144

SCHEMBL25820144

Cc1cc(CC(C)C)c2cc(N3CC(C)OC(C)C3)ccc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.48
TSHR P16473 2/20 0.48
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 4/20 0.42
GAA P10253 1/20 0.42
BRD4 O60885 3/20 0.40
HTR1A P08908 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
HPGD P15428 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 2/20 0.37
RAB9A P51151 1/20 0.37
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL25820157 0.87 TSHR (0.35) NPSR1TSHRBRD4HTR1AHTR1D
SCHEMBL25820145 0.87 SYK (0.38) NPSR1TSHRKDM4EALDH1A1TDP1
SCHEMBL25820151 0.82 TDP1 (0.44) NPSR1TSHRKDM4EALDH1A1GAA
SCHEMBL25820170 0.82 NCF1 (0.44) KDM4EALDH1A1GAATDP1MAPT
SCHEMBL25820102 0.82 NCF1 (0.41) KDM4EALDH1A1GAATDP1MAPT
SCHEMBL25820175 0.81 KMT2A (0.49) TSHRKDM4EALDH1A1GAABRD4
SCHEMBL23999932 0.79 NPSR1 (0.53) NPSR1TSHRKDM4EALDH1A1GAA
SCHEMBL25821148 0.78 MAPT (0.34) TSHRKDM4EALDH1A1TDP1MAPT
SCHEMBL25820146 0.78 LATS1 (0.37) TSHRKDM4EALDH1A1BRD4TDP1
SCHEMBL25821152 0.77 NCF1 (0.47) TSHRKDM4EALDH1A1GAABRD4

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 NPSR1 4243/4885TSHR 2571/4885KDM4E 4095/4885
US-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA NPSR1 4200/4885TSHR 2696/4885KDM4E 4219/4885

“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.