SCHEMBL23622934

SCHEMBL23622934

COCCO[C@H]1CCN(c2ncc(N)cc2Cl)C1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACACB O00763 7/20 0.41
PIK3CA P42336 1/20 0.41
MTOR P42345 1/20 0.41
LIPC P11150 1/20 0.38
LIPG Q9Y5X9 1/20 0.38
MAPT P10636 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
OPRK1 P41145 1/20 0.36
PDE10A Q9Y233 2/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
GAA P10253 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CXCR3 P49682 1/20 0.34

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
SCHEMBL23623183 1.00 ACACB (0.41) ACACBPIK3CAMTORLIPCLIPG
SCHEMBL23622935 0.87 PIK3CA (0.41) ACACBPIK3CAMTORLIPCLIPG
SCHEMBL16466967 0.80 OPRK1 (0.44) ACACBPIK3CAMTORMAPTCYP2C9
SCHEMBL23623047 0.80 OPRK1 (0.40) MAPTCYP2C9CYP2C19SMN1; SMN2OPRK1
SCHEMBL23623076 0.78 MAP4K4 (0.44) ACACBOPRK1
SCHEMBL23622933 0.78 MAP4K4 (0.44) ACACBOPRK1
SCHEMBL23623068 0.74 PIK3CA (0.45) PIK3CAMTORMAPTSMN1; SMN2MEN1
SCHEMBL24213940 0.72 LIPG (0.47) ACACBLIPCLIPGOPRK1KMT2A
SCHEMBL26499774 0.70 PDE10A (0.36) ACACBMAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL26499783 0.70 PDE10A (0.36) ACACBMAPTCYP2C9CYP2C19SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230127839-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-04-27 US disclosed
US-20230127839-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-04-27 US disclosed
WO-2021138434-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2021-07-08 WO 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-20230127839-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 ACACB 3881/4885PIK3CA 678/4885MTOR 1694/4885

“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.