SCHEMBL12395656

SCHEMBL12395656

CC(C)(C)OC1CN2CCC1CC2

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 4/20 0.50
▸ CHRM1 P11229 3/20 0.50
▸ CYP2D6 P10635 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ CHRM3 P20309 2/20 0.44
▸ CHRM4 P08173 1/20 0.44
▸ CHRM5 P08912 1/20 0.44
▸ CYP1A2 P05177 1/20 0.39
▸ CHRNA7 P36544 1/20 0.38

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
SCHEMBL12665763 0.89 CHRM1 (0.51) CHRM2CHRM1CYP2D6MEN1KMT2A
SCHEMBL12665772 0.85 CHRM1 (0.43) CHRM2CHRM1CYP2D6MEN1KMT2A
SCHEMBL9289352 0.75 CHRM2 (0.55) CHRM2CHRM1CYP2D6MEN1KMT2A
SCHEMBL96686 0.75 CHRM2 (0.55) CHRM2CHRM1CYP2D6MEN1KMT2A
SCHEMBL22606897 0.74 CHRM2 (0.53) CHRM2CHRM1CYP2D6MEN1KMT2A
SCHEMBL24854140 0.72 CHRM2 (0.52) CHRM2CHRM1CYP2D6MEN1KMT2A
SCHEMBL25470018 0.71 CHRM2 (0.66) CHRM2CHRM1CYP2D6MEN1KMT2A
SCHEMBL13907240 0.70 CHRM2 (0.55) CHRM2CHRM1CYP2D6MEN1KMT2A
SCHEMBL15500344 0.70 CHRM2 (0.50) CHRM2CHRM1CYP2D6MEN1KMT2A
SCHEMBL9387164 0.70 CHRM2 (0.50) CHRM2CHRM1CYP2D6MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230002382-A1 SPIRO RING-CONTAINING QUINAZOLINE COMPOUNDS Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2023-01-05 — — US disclosed
US-9440976-B2 1,7-diazacarbazoles and methods of use GENENTECH, INC. (US) 2016-09-13 — — US disclosed
US-9216980-B2 Methods of use of diazacarbazoles for treating cancer GENENTECH, INC. (US) 2015-12-22 — — US disclosed
US-9216980-B2 Methods of use of diazacarbazoles for treating cancer GENENTECH, INC. (US) 2015-12-22 — — US disclosed
US-20150328195-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. (US) 2015-11-19 — — US disclosed
US-20150087630-A1 METHODS OF USE OF DIAZACARBAZOLES FOR TREATING CANCER GENENTECH, INC. (US) 2015-03-26 — — US disclosed
US-20150087630-A1 METHODS OF USE OF DIAZACARBAZOLES FOR TREATING CANCER GENENTECH, INC. (US) 2015-03-26 — — US disclosed
US-20140171407-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. (US) 2014-06-19 — — US disclosed
US-20130261104-A1 METHODS OF USE OF DIAZACARBAZOLES FOR TREATING CANCER GENENTECH, INC. (US) 2013-10-03 — — US disclosed
US-8501765-B2 Diazacarbazoles and methods of use GENENTECH, INC. (US) 2013-08-06 — — US disclosed
US-20110183938-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. (US) 2011-07-28 — — US disclosed
US-20110118230-A1 DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. 2011-05-19 — — US disclosed
US-20110015185-A1 Benzofuran Compounds BIOVITRUM AB (SE) 2011-01-20 — — US disclosed
US-7820675-B2 Benzofuran compounds BIOVITRUM AB (SE) 2010-10-26 — — 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 (8 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-20110118230-A1 DIAZACARBAZOLES AND METHODS OF USE CHEK1, CHEK2, BUB1B CHRM2 4042/4885CHRM1 3638/4885CYP2D6 3361/4885
US-20150328195-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE CHEK1, CHEK2, BUB1B CHRM2 4407/4885CHRM1 3780/4885CYP2D6 3479/4885
US-20110183938-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE CHEK1, CHEK2, BUB1B CHRM2 4407/4885CHRM1 3780/4885CYP2D6 3479/4885
US-20230002382-A1 SPIRO RING-CONTAINING QUINAZOLINE COMPOUNDS KRAS, NRAS, HRAS CHRM2 4863/4885CHRM1 4819/4885CYP2D6 1945/4885
US-20150087630-A1 METHODS OF USE OF DIAZACARBAZOLES FOR TREATING CANCER IDH3B, IDH3A, EGLN3 CHRM2 789/4885CHRM1 1154/4885CYP2D6 527/4885
US-20140171407-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE CHEK1, CHEK2, BUB1B CHRM2 4407/4885CHRM1 3780/4885CYP2D6 3479/4885
US-20110015185-A1 Benzofuran Compounds HTR6, HTR1F, HTR1A CHRM2 317/4885CHRM1 341/4885CYP2D6 20/4885
US-20130261104-A1 METHODS OF USE OF DIAZACARBAZOLES FOR TREATING CANCER IDH3B, IDH3A, EGLN3 CHRM2 789/4885CHRM1 1154/4885CYP2D6 527/4885

“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.

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