SCHEMBL25111597

SCHEMBL25111597

Cn1cnc2cc(C(C)(C)C)ccc2c1=O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
SYK P43405 6/20 0.45
IP6K1 Q92551 1/20 0.43
BTK Q06187 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ACVR1 Q04771 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
HSD17B10 Q99714 1/20 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
SCHEMBL13232027 0.87 L3MBTL1 (0.56) L3MBTL1SYKIP6K1KDM4EACVR1
SCHEMBL7600928 0.78 L3MBTL1 (0.49) L3MBTL1IP6K1KDM4EACVR1MEN1
SCHEMBL21025561 0.78 MEN1 (0.47) MEN1KMT2APOLBMAPTSMN1; SMN2
SCHEMBL22393621 0.77 MEN1 (0.48) MEN1KMT2APOLBMAPTSMN1; SMN2
SCHEMBL5312155 0.77 L3MBTL1 (0.48) L3MBTL1SYKIP6K1KDM4EACVR1
SCHEMBL12177224 0.77 L3MBTL1 (0.48) L3MBTL1SYKIP6K1KDM4EACVR1
SCHEMBL1500289 0.77 L3MBTL1 (0.48) L3MBTL1IP6K1KDM4EACVR1MEN1
SCHEMBL30186355 0.77 ESR1 (0.62) L3MBTL1SYKIP6K1KDM4EACVR1
SCHEMBL9919057 0.77 F2RL3 (0.51) L3MBTL1IP6K1KDM4EACVR1KMT2A
SCHEMBL762008 0.76 GRM5 (0.49) KDM4EKMT2APOLBMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230065217-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS, INC. 2023-03-02 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 (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-20230065217-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS MRGPRX2, MRGPRX1, MRGPRX4 L3MBTL1 4099/4885SYK 2351/4885IP6K1 2183/4885

“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.