SCHEMBL19360779

SCHEMBL19360779

COC1(C(=O)O)CC(C)C1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.31
GRM6 O15303 2/20 0.31
GRM2 Q14416 2/20 0.31
GRM3 Q14832 2/20 0.31
CYP1A2 P05177 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
SCHEMBL25475568 0.81 APLNR (0.31) APLNR
SCHEMBL23904378 0.77 CYP2C19 (0.34) CYP1A2
SCHEMBL20182831 0.77 APLNR (0.33) APLNR
SCHEMBL1468175 0.74
SCHEMBL19360778 0.73 LMNA (0.35)
SCHEMBL2300431 0.70 FFAR3 (0.38)
SCHEMBL5634851 0.70
SCHEMBL1661518 0.69 APLNR (0.36) APLNRGRM6GRM2GRM3CYP1A2
SCHEMBL19233 0.68 CYP2C19 (0.38) CYP1A2
Hydrochloric Acid SCHEMBL11387822 0.68 FFAR3 (0.36)

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-20230159521-A1 1H-PYRAZOLO[4,3-G]ISOQUINOLINE AND 1H-PYRAZOLO[4,3-G]QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS INCORPORATED 2023-05-25 US disclosed
US-20170267661-A1 INHIBITORS OF RET BLUEPRINT MEDICINES CORPORATION 2017-09-21 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-20230159521-A1 1H-PYRAZOLO[4,3-G]ISOQUINOLINE AND 1H-PYRAZOLO[4,3-G]QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) SERPINA2, SERPINE1, SERPINA3 APLNR 3152/4885GRM6 4519/4885GRM2 3903/4885
US-20170267661-A1 INHIBITORS OF RET RET, HRAS, RB1 APLNR 939/4885GRM6 1334/4885GRM2 1161/4885

“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.