SCHEMBL3774101

SCHEMBL3774101

NC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1N

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
NISCH Q9Y2I1 1/20 0.37
LMNA P02545 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
SCHEMBL24516573 1.00 MEN1 (0.37) MEN1CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL6078829 1.00 MEN1 (0.37) MEN1CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL3764733 1.00 MEN1 (0.37) MEN1CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL6078824 1.00 MEN1 (0.37) MEN1CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL19437152 0.85 SMN1; SMN2 (0.31)
SCHEMBL2549796 0.85 LMNA (0.33) MEN1CYP1A2CYP2D6KMT2ALMNA
SCHEMBL21986562 0.81 LMNA (0.41) MEN1CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL1254906 0.81 LMNA (0.41) MEN1CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL2034444 0.81 LMNA (0.41) MEN1CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL13221004 0.81 LMNA (0.41) MEN1CYP1A2CYP3A4CYP2D6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348363-A1 COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2023-11-02 US disclosed
US-11667602-B2 Compounds and their use ASTRAZENECA AB (SE) 2023-06-06 US disclosed
US-11667602-B2 Compounds and their use ASTRAZENECA AB (SE) 2023-06-06 US disclosed
WO-2022122773-A1 4-(2-FLUORO-4-METHOXY-5-3-(((1-METHYLCYCLOBUTYL)METHYL)CARBAMOYL)BICYCLO[2.2.1]HEPTAN-2-YL)CARBAMOYL)PHENOXY)-1-METHYLCYCLOHEXANE-1-CARBOXYLIC ACID DERIVATIVES AND SIMILAR COMPOUNDS AS RXFP1 MODULATORS FOR THE TREATMENT OF HEART FAILURE ASTRAZENECA AB (SE) 2022-06-16 WO disclosed
US-8426408-B2 Pyrimidine inhibitors of kinases ABBVIE INC. (US) 2013-04-23 US disclosed
US-7868013-B2 Cycloalkyl substituted pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2011-01-11 US disclosed
US-20100317680-A1 PYRIMIDINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2010-12-16 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 (3 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-20100317680-A1 PYRIMIDINE INHIBITORS OF KINASES AURKA, AURKC, AURKB MEN1 1727/4885CYP1A2 1193/4885CYP3A4 1234/4885
US-11667602-B2 Compounds and their use RXFP1, RXFP3, RXFP2 MEN1 2258/4885CYP1A2 1700/4885CYP3A4 3322/4885
US-20230348363-A1 COMPOUNDS AND THEIR USE RXFP1, RXFP3, RXFP2 MEN1 2258/4885CYP1A2 1700/4885CYP3A4 3322/4885

“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.