SCHEMBL9968466

SCHEMBL9968466

CN1CC2(CCN(C(C)(C)C)CC2)CC1=O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.46
CYP11B2 P19099 4/20 0.46
CRBN Q96SW2 1/20 0.38
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
OPRM1 P35372 1/20 0.36
GRIN1 Q05586 1/20 0.36
KCNH2 Q12809 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
LRRK2 Q5S007 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CRHBP P24387 1/20 0.31
CRHR2 Q13324 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
SCHEMBL25609376 0.83 CRHBP (0.37) CYP11B1CYP11B2CRBNALDH1A1CRHBP
SCHEMBL1753879 0.81 CYP11B1 (0.50) CYP11B1CYP11B2CRBNCHRM2LRRK2
SCHEMBL16189944 0.80
SCHEMBL18806140 0.79 CHRM2 (0.34) CYP11B1CYP11B2GRIN2DGRIN3BCHRM2
SCHEMBL18806137 0.78 CYP11B1 (0.33) CYP11B1CYP11B2GRIN2DGRIN3BCHRM2
SCHEMBL12832226 0.76 CYP11B1 (0.46) CYP11B1CYP11B2CRBNCHRM2
SCHEMBL24186788 0.75 CYP11B1 (0.46) CYP11B1CYP11B2CRBNLRRK2
SCHEMBL17485296 0.75 CYP11B1 (0.49) CYP11B1CYP11B2CRBNCHRM2OPRM1
SCHEMBL12243268 0.75 CYP11B1 (0.44) CYP11B1CYP11B2CRBN
SCHEMBL25990796 0.75 GRIN2D (0.41) GRIN2DGRIN3BCHRM2CHRM1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357242-A1 COMPOUND AS AKT KINASE INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-11-09 US disclosed
US-20230357242-A1 COMPOUND AS AKT KINASE INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-11-09 US disclosed
US-20200230117-A1 NOVEL SUBSTITUTED IMIDAZOPYRIDINE COMPOUNDS AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN-2,3-DIOXYGENASE IOMET PHARMA LTD. (GB) 2020-07-23 US disclosed
US-9056865-B2 Pyridine-2-derivatives as smoothened receptor modulators PFIZER INC. (US) 2015-06-16 US disclosed
US-20130210800-A1 PYRIDINE-2-DERIVATIVES AS SMOOTHENED RECEPTOR MODULATORS PFIZER INC. (US) 2013-08-15 US disclosed
US-20120157471-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. (US) 2012-06-21 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 (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-20120157471-A1 BENZIMIDAZOLE DERIVATIVES SMO, RB1, GLI1 CYP11B1 1338/4885CYP11B2 1556/4885CRBN 395/4885
US-20230357242-A1 COMPOUND AS AKT KINASE INHIBITOR AKT2, MTOR, AKT1 CYP11B1 609/4885CYP11B2 668/4885CRBN 2602/4885
US-20200230117-A1 NOVEL SUBSTITUTED IMIDAZOPYRIDINE COMPOUNDS AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN-2,3-DIOXYGENASE IDO1, IDO2, TDO2 CYP11B1 455/4885CYP11B2 239/4885CRBN 3713/4885
US-20130210800-A1 PYRIDINE-2-DERIVATIVES AS SMOOTHENED RECEPTOR MODULATORS SMO, EDNRB, RXFP1 CYP11B1 1843/4885CYP11B2 1883/4885CRBN 987/4885

“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.