SCHEMBL10098418

SCHEMBL10098418

CCC(C)CC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.46
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
ELANE P08246 1/20 0.39
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CTSK P43235 4/20 0.35
CTSS P25774 2/20 0.34
MLYCD O95822 7/20 0.33

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
SCHEMBL94716 0.83 CYP2D6 (0.46) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL94715 0.83 CYP2D6 (0.46) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL3944170 0.83 CYP2D6 (0.46) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL3946941 0.83 CYP2D6 (0.46) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL12567219 0.82 CYP2D6 (0.42) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL23340686 0.81 ELANE (0.34) CYP2D6ELANE
SCHEMBL19750508 0.81 CYP2D6 (0.40) CYP2D6CA1CA2CA7CTSK
SCHEMBL1239583 0.81 CYP2D6 (0.45) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL12861679 0.81 CYP2D6 (0.49) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL7324935 0.81 CYP2D6 (0.45) CYP2D6HDAC3HDAC1HDAC2HDAC8

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119212978-A Oxoindolinyl amide derivatives for inhibiting NLRP3 and use thereof 万特斯治疗美国公司 2024-12-27 CN disclosed
US-20230159455-A1 DELIVERY OF THERAPEUTIC ALKALOID COMPOUNDS SENSORIUM THERAPEUTICS, INC. 2023-05-25 US disclosed
US-9434747-B2 Methods of treating diabetes MEDIVATION TECHNOLOGIES, INC. (US) 2016-09-06 US disclosed
US-9433626-B2 Pyrido[4,3-B]indole and pyrido[3,4-B]indole derivatives and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-09-06 US disclosed
US-9271971-B2 Pyrido[3,4-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-03-01 US disclosed
US-9211287-B2 Pyrido[4,3-b]indole and pyrido[3,4-b]indole derivatives and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-12-15 US disclosed
US-20150352087-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2015-12-10 US disclosed
US-9199996-B2 Pyrido[4,3-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-12-01 US disclosed
US-20150335654-A1 PYRIDO [4,3-B] INDOLE AND PYRIDO [3,4-B] INDOLE DERIVATIVES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2015-11-26 US disclosed
US-20150258075-A1 PYRIDO[4,3-B]INDOLE AND PYRIDO[3,4-B]INDOLE DERIVATIVES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2015-09-17 US disclosed
US-8580746-B2 Amide linkage cyclic natriuretic peptide constructs PALATIN TECHNOLOGIES, INC. (US) 2013-11-12 US disclosed
US-20130217675-A1 PYRIDO [4,3-B] INDOLE AND PYRIDO [3,4-B] INDOLE DERIVATIVES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2013-08-22 US disclosed
US-20130190344-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
US-20130184304-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-18 US disclosed
US-20130172320-A1 PYRIDO [4,3-B] INDOLE AND PYRIDO [3,4-B] INDOLE DERIVATIVES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2013-07-04 US disclosed
US-20120161296-A1 MULTIPLE PATTERNING USING IMPROVED PATTERNABLE LOW-k DIELECTRIC MATERIALS INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2012-06-28 US disclosed
US-20110263818-A1 Peptidic Constructs with Amino Acid Surrogates PALATIN TECHNOLOGIES, INC. (US) 2011-10-27 US disclosed
WO-2011103433-A1 PYRIDO[4,3-B]INDOLE AND PYRIDO[3,4-B]INDOLE DERIVATIVES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2011-08-25 WO disclosed
WO-2011038163-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2011-03-31 WO disclosed
US-20100035821-A1 Amide Linkage Cyclic Natriuretic Peptide Constructs PALATIN TECHNOLOGIES, INC. (US) 2010-02-11 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 (10 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-20150258075-A1 PYRIDO[4,3-B]INDOLE AND PYRIDO[3,4-B]INDOLE DERIVATIVES AND METHODS OF USE HTR1B, HTR2B, HTR2A CYP2D6 952/4885HDAC3 3971/4885HDAC1 4370/4885
US-20130184304-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C CYP2D6 428/4885HDAC3 4112/4885HDAC1 4372/4885
US-20130190344-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C CYP2D6 428/4885HDAC3 4112/4885HDAC1 4372/4885
US-20110263818-A1 Peptidic Constructs with Amino Acid Surrogates ARGLU1, QRFPR, ARG1 CYP2D6 3380/4885HDAC3 3448/4885HDAC1 3087/4885
US-20230159455-A1 DELIVERY OF THERAPEUTIC ALKALOID COMPOUNDS PNMT, HNMT, NNMT CYP2D6 316/4885HDAC3 1557/4885HDAC1 764/4885
US-20130172320-A1 PYRIDO [4,3-B] INDOLE AND PYRIDO [3,4-B] INDOLE DERIVATIVES AND METHODS OF USE HTR3B, HTR4, HTR2C CYP2D6 230/4885HDAC3 3476/4885HDAC1 4363/4885
US-20100035821-A1 Amide Linkage Cyclic Natriuretic Peptide Constructs NPR1, NPR3, NPPA CYP2D6 4412/4885HDAC3 1926/4885HDAC1 2427/4885
US-20130217675-A1 PYRIDO [4,3-B] INDOLE AND PYRIDO [3,4-B] INDOLE DERIVATIVES AND METHODS OF USE HTR3B, HTR4, HTR2C CYP2D6 230/4885HDAC3 3476/4885HDAC1 4363/4885
US-20150352087-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C CYP2D6 420/4885HDAC3 4157/4885HDAC1 4373/4885
US-20150335654-A1 PYRIDO [4,3-B] INDOLE AND PYRIDO [3,4-B] INDOLE DERIVATIVES AND METHODS OF USE HTR3B, HTR4, HTR2C CYP2D6 230/4885HDAC3 3476/4885HDAC1 4363/4885

“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.