SCHEMBL8028843

SCHEMBL8028843

CNCC(C)(C)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.56
KCNN4 O15554 2/20 0.48
KCNA5 P22460 3/20 0.46
MAPK1 P28482 1/20 0.42
LMNA P02545 1/20 0.41
CYP2D6 P10635 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL10145455 0.83 KCNN4 (0.46) TAAR1KCNN4KCNA5MAPK1LMNA
SCHEMBL27016733 0.81 TAAR1 (0.46) TAAR1KCNN4MAPK1LMNACYP2D6
SCHEMBL16408098 0.81 TAAR1 (0.52) TAAR1KCNN4KCNA5MAPK1CYP2C19
SCHEMBL28333332 0.81 TAAR1 (0.46) TAAR1KCNN4MAPK1LMNACYP2D6
SCHEMBL17610986 0.79 KCNN4 (0.43) TAAR1KCNN4KCNA5MAPK1LMNA
SCHEMBL19413917 0.79 TAAR1 (0.50) TAAR1KCNN4KCNA5MAPK1
SCHEMBL16369385 0.79 TAAR1 (0.50) TAAR1KCNN4KCNA5MAPK1LMNA
SCHEMBL5142176 0.79 CYP2C19 (0.56) TAAR1KCNN4MAPK1LMNACYP2D6
SCHEMBL2903242 0.78 KCNN4 (0.46) TAAR1KCNN4MAPK1LMNACYP2D6
SCHEMBL8350856 0.78 TSHR (0.50) TAAR1MAPK1LMNACYP2D6CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230317700-A1 CYTOTOXIC AND ANTI-MITOTIC COMPOUNDS, AND METHODS OF USING THE SAME ZYMEWORKS BC INC. (CA) 2023-10-05 US disclosed
WO-2023064585-A1 7,8-DIHYDRO-5H-1,6-NAPHTHYRIDINE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 FOR TREATING NEUROLOGICAL AND PSYCHIATRIC DISORDERS VANDERBILT UNIVERSITY (US) 2023-04-20 WO disclosed
US-11591405-B2 Cytotoxic and anti-mitotic compounds, and methods of using the same ZYMEWORKS BC INC. 2023-02-28 US disclosed
EP-4029873-A1 CYTOTOXIC AND ANTI-MITOTIC COMPOUNDS, AND METHODS OF USING THE SAME Zymeworks Inc. (CA) 2022-07-20 EP disclosed
EP-3194421-B1 CYTOTOXIC AND ANTI-MITOTIC COMPOUNDS, AND METHODS OF USING THE SAME ZYMEWORKS INC (CA) 2021-11-03 EP disclosed
CN-113416229-A Cytotoxic and antimitotic compounds, and methods of use thereof 酵活有限公司 2021-09-21 CN disclosed
CN-107001415-B Cytotoxic and antimitotic compounds, and methods of use thereof 酵活有限公司 2021-06-18 CN disclosed
US-20200207865-A2 CYTOTOXIC AND ANTI-MITOTIC COMPOUNDS, AND METHODS OF USING THE SAME ZYMEWORKS BC INC. (CA) 2020-07-02 US disclosed
US-20190345254-A1 CYTOTOXIC AND ANTI-MITOTIC COMPOUNDS, AND METHODS OF USING THE SAME ZYMEWORKS INC (CA) 2019-11-14 US disclosed
US-10450378-B2 Cytotoxic and anti-mitotic compounds, and methods of using the same ZYMEWORKS INC. (CA) 2019-10-22 US disclosed
US-9879086-B2 Cytotoxic and anti-mitotic compounds, and methods of using the same ZYMEWORKS INC. (CA) 2018-01-30 US disclosed
US-9775831-B2 Combinations comprising biphenyl derivatives for use in the treatment of HCV BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-03 US disclosed
US-20170247408-A1 CYTOTOXIC AND ANTI-MITOTIC COMPOUNDS, AND METHODS OF USING THE SAME ZYMEWORKS BC INC. (CA) 2017-08-31 US disclosed
EP-3194421-A1 CYTOTOXIC AND ANTI-MITOTIC COMPOUNDS, AND METHODS OF USING THE SAME Zymeworks, Inc. (CA) 2017-07-26 EP disclosed
US-20160166545-A1 COMBINATIONS COMPRISING BIPHENYL DERIVATIVES FOR USE IN THE TREATMENT OF HCV BRISTOL MYERS SQUIBB CO (US) 2016-06-16 US disclosed
WO-2016041082-A1 CYTOTOXIC AND ANTI-MITOTIC COMPOUNDS, AND METHODS OF USING THE SAME CDRD Ventures, Inc. (CA) 2016-03-24 WO disclosed
US-20160075735-A1 CYTOTOXIC AND ANTI-MITOTIC COMPOUNDS, AND METHODS OF USING THE SAME ZYMEWORKS BC INC. (CA) 2016-03-17 US disclosed
US-7713961-B2 Substituted 1,2-ethylenediamines, methods for preparing them and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-11 US disclosed
US-20090325940-A1 Substituted 1,2-ethylenediamines, Methods for Preparing Them and Uses Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-31 US disclosed
WO-2009095253-A1 6-HALO-PYRAZOLO[1, 5-A]PYRIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR (MGLUR) MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2009-08-06 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 (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-20160166545-A1 COMBINATIONS COMPRISING BIPHENYL DERIVATIVES FOR USE IN THE TREATMENT OF HCV HAVCR2, EIF2AK2, MAVS TAAR1 4553/4885KCNN4 4876/4885KCNA5 4840/4885
US-20160075735-A1 CYTOTOXIC AND ANTI-MITOTIC COMPOUNDS, AND METHODS OF USING THE SAME CCNB1, PLK1, BOD1L1 TAAR1 4759/4885KCNN4 4393/4885KCNA5 3985/4885
US-20190345254-A1 CYTOTOXIC AND ANTI-MITOTIC COMPOUNDS, AND METHODS OF USING THE SAME CCNB1, PLK1, BOD1L1 TAAR1 4759/4885KCNN4 4393/4885KCNA5 3985/4885
US-20170247408-A1 CYTOTOXIC AND ANTI-MITOTIC COMPOUNDS, AND METHODS OF USING THE SAME CCNB1, PLK1, BOD1L1 TAAR1 4759/4885KCNN4 4393/4885KCNA5 3985/4885
US-20200207865-A2 CYTOTOXIC AND ANTI-MITOTIC COMPOUNDS, AND METHODS OF USING THE SAME CCNB1, PLK1, BOD1L1 TAAR1 4759/4885KCNN4 4393/4885KCNA5 3985/4885
US-11591405-B2 Cytotoxic and anti-mitotic compounds, and methods of using the same CCNB1, PLK1, BOD1L1 TAAR1 4759/4885KCNN4 4393/4885KCNA5 3985/4885
US-20090325940-A1 Substituted 1,2-ethylenediamines, Methods for Preparing Them and Uses Thereof PSEN1, PSEN2, BACE1 TAAR1 277/4885KCNN4 2776/4885KCNA5 1221/4885
US-10450378-B2 Cytotoxic and anti-mitotic compounds, and methods of using the same CCNB1, PLK1, BOD1L1 TAAR1 4759/4885KCNN4 4393/4885KCNA5 3985/4885

“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.