SCHEMBL25820190

SCHEMBL25820190

Cc1nccc(CC(C)C)c1C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.38
GABRB2 P47870 2/20 0.38
KDM4E B2RXH2 3/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
USP2 O75604 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP2A6 P11509 1/20 0.32
AAK1 Q2M2I8 2/20 0.32
MAOA P21397 1/20 0.32
HRH4 Q9H3N8 2/20 0.32
NOS3 P29474 1/20 0.30
NOS2 P35228 1/20 0.30

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
SCHEMBL25835627 0.84 CYP2A6 (0.34) PDE3BPDE3ACYP2A6
SCHEMBL7471392 0.84 CYP2A6 (0.31) CYP2A6
SCHEMBL25820187 0.80 GABRA1 (0.35) GABRA1GABRB2KDM4EPOLBSMN1; SMN2
SCHEMBL30073071 0.80 NOS3 (0.36) GABRA1GABRB2KDM4EPOLBSMN1; SMN2
SCHEMBL24873419 0.76 NMT1 (0.34) GABRA1GABRB2KDM4EPDE3BPDE3A
SCHEMBL3801869 0.76 NOS2 (0.38) GABRA1GABRB2PDE3BPDE3ACYP2A6
SCHEMBL2084548 0.75 GABRA1 (0.47) GABRA1GABRB2KDM4ENOS3NOS2
SCHEMBL156074 0.74 CYP2A6 (0.34) PDE3BPDE3ACYP2A6NOS3NOS2
SCHEMBL1931165 0.74 LOXL2 (0.45) KDM4ECYP2A6NOS3NOS2
SCHEMBL4795960 0.74 KDM4E (0.41) GABRA1GABRB2KDM4ESMN1; SMN2HPGD

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 GABRA1 3307/4885GABRB2 2323/4885KDM4E 4095/4885
US-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA GABRA1 3364/4885GABRB2 2245/4885KDM4E 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.