SCHEMBL25152114

SCHEMBL25152114

CC(C)[C@H](CC(=O)O)c1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.51
ITGAV P06756 6/20 0.51
KCNA5 P22460 6/20 0.50
ITGA2B P08514 2/20 0.50
TBXAS1 P24557 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
CTSA P10619 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NAPRT Q6XQN6 1/20 0.45
CFTR P13569 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
GOPC Q9HD26 1/20 0.44

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
SCHEMBL15592461 1.00 ITGB3 (0.51) ITGB3ITGAVKCNA5ITGA2BTBXAS1
SCHEMBL1209573 0.83 L3MBTL1 (0.56) ITGB3ITGAVKCNA5ITGA2BTBXAS1
SCHEMBL15267199 0.83 KCNA5 (0.69) KCNA5
SCHEMBL1234229 0.81 TAAR1 (0.55)
SCHEMBL25152144 0.81 TAAR1 (0.55)
SCHEMBL25152385 0.81 TAAR1 (0.55)
SCHEMBL5856512 0.80 TBXAS1 (0.53) ITGB3ITGAVITGA2BTBXAS1CTSA
SCHEMBL20784917 0.80 SMN1; SMN2 (0.47) KCNA5L3MBTL1SMN1; SMN2CFTRSLC6A2
SCHEMBL25152516 0.79 ITGB3 (0.47) ITGB3ITGAVITGA2BTBXAS1L3MBTL1
SCHEMBL25152962 0.79 ITGB3 (0.47) ITGB3ITGAVITGA2BTBXAS1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12168648-B2 Opioid receptor modulators EPIODYNE, INC. (US) 2024-12-17 US disclosed
US-20240092746-A1 OPIOID RECEPTOR MODULATORS EPIODYNE, INC. 2024-03-21 US disclosed
US-11634396-B2 Opioid receptor modulators EPIODYNE, INC. (US) 2023-04-25 US disclosed
US-11634396-B2 Opioid receptor modulators EPIODYNE, INC. (US) 2023-04-25 US disclosed
US-20220356157-A1 OPIOID RECEPTOR MODULATORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-11-10 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 (4 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-20240092746-A1 OPIOID RECEPTOR MODULATORS OPRM1, OPRK1, OPRL1 ITGB3 1004/4885ITGAV 1053/4885KCNA5 688/4885
US-12168648-B2 Opioid receptor modulators OPRM1, OPRK1, OPRL1 ITGB3 1004/4885ITGAV 1053/4885KCNA5 688/4885
US-11634396-B2 Opioid receptor modulators OPRM1, OPRK1, OPRL1 ITGB3 1004/4885ITGAV 1053/4885KCNA5 688/4885
US-20220356157-A1 OPIOID RECEPTOR MODULATORS OPRM1, OPRK1, OPRL1 ITGB3 1004/4885ITGAV 1053/4885KCNA5 688/4885

“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.