SCHEMBL4534033

SCHEMBL4534033

CCNC(=O)N1CCN(C)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.83
HTT P42858 2/20 0.62
MEN1 O00255 2/20 0.53
HTR1A P08908 1/20 0.48
TDP1 Q9NUW8 3/20 0.48
CYP1A2 P05177 1/20 0.48
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 2/20 0.45
NPC1 O15118 1/20 0.45
EPHX2 P34913 1/20 0.44
FAAH O00519 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
TSHR P16473 1/20 0.44
ALOX12 P18054 1/20 0.44
MAPK1 P28482 1/20 0.44
MTOR P42345 1/20 0.44
RAB9A P51151 1/20 0.44
POLB P06746 1/20 0.44
BLM P54132 1/20 0.43

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
SCHEMBL16103859 0.85 KMT2A (0.60) KMT2AHTTMEN1HTR1ATDP1
SCHEMBL13779927 0.85 KMT2A (0.59) KMT2AHTTMEN1ALDH1A1TSHR
SCHEMBL10272740 0.83 TDP1 (0.62) KMT2AHTTMEN1HTR1ATDP1
SCHEMBL12800844 0.83 KMT2A (0.83) KMT2AHTTMEN1TDP1CYP1A2
SCHEMBL13674468 0.83 KMT2A (0.83) KMT2AHTTMEN1TDP1KDM4E
SCHEMBL4534029 0.83 KMT2A (0.83) KMT2AHTTMEN1TDP1KDM4E
SCHEMBL13472629 0.82 KMT2A (0.61) KMT2AHTTMEN1ALDH1A1POLB
Citric Acid SCHEMBL4740036 0.82 KDM4E (0.62) KMT2AHTTMEN1HTR1ATDP1
SCHEMBL19741751 0.82
SCHEMBL965286 0.82 KMT2A (0.82) KMT2AHTTALDH1A1NPC1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203577-A1 Azepinoindole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2009-08-13 US claimed
EP-1963331-A1 AZEPINOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2008-09-03 EP claimed
WO-2007070796-A1 AZEPINOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2007-06-21 WO claimed
US-20230265083-A1 Heterocycle CDK Inhibitors And Their Use Thereof PRELUDE THERAPEUTICS INCORPORATED 2023-08-24 US disclosed
US-20230242543-A1 CDK Inhibitors And Their Use As Pharmaceuticals PRELUDE THERAPEUTICS INCORPORATED 2023-08-03 US disclosed
US-11702414-B2 Thiadiazole IRAK4 inhibitors GILEAD SCIENCES, INC. (US) 2023-07-18 US disclosed
US-11673893-B2 CDK inhibitors and their use as pharmaceuticals PRELUDE THERAPEUTICS INCORPORATED (US) 2023-06-13 US disclosed
WO-2022056449-A1 COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE GENZYME CORPORATION (US) 2022-03-17 WO disclosed
WO-2021050824-A1 CDK INHIBITORS AND THEIR USE AS PHARMACEUTICALS PRELUDE THERAPEUTICS INCORPORATED (US) 2021-03-18 WO disclosed
US-20210070761-A1 CDK INHIBITORS AND THEIR USE AS PHARMACEUTICALS PRELUDE THERAPEUTICS INCORPORATED 2021-03-11 US disclosed
US-20200123132-A1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC 2020-04-23 US disclosed
US-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors IRM LLC (BM) 2007-06-28 US disclosed
WO-2007070796-A1 AZEPINOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2007-06-21 WO disclosed
US-7157473-B2 Pyridyl substituted heterocycles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2007-01-02 US disclosed
US-7157473-B2 Pyridyl substituted heterocycles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2007-01-02 US disclosed
EP-1450821-A1 IMMUNOSTIMULATORY OLIGODEOXYNUCLEOTIDES Intercell AG (AT) 2004-09-01 EP disclosed
WO-2003047602-A1 IMMUNOSTIMULATORY OLIGODEOXYNUCLEOTIDES INTERCELL AG (AT) 2003-06-12 WO disclosed
EP-0259113-B1 CONTROLLED RELEASE DEVICE FOR AN ACTIVE SUBSTANCE PFIZER INC. (US) 1990-10-31 EP disclosed
EP-0300960-A2 Pharmaceutical compositions and lactosyl compounds, and their preparation Solco Basel AG (CH) 1989-01-25 EP disclosed
US-4147785-A Method for the treatment of onchocerciasis Dobbie, Graham J. (US) 1979-04-03 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-11673893-B2 CDK inhibitors and their use as pharmaceuticals CDK6, CDK3, CDK9 KMT2A 282/4885HTT 2933/4885MEN1 2119/4885
US-20230265083-A1 Heterocycle CDK Inhibitors And Their Use Thereof CDK3, CDK8, CDK9 KMT2A 338/4885HTT 1938/4885MEN1 2253/4885
US-11702414-B2 Thiadiazole IRAK4 inhibitors IRAK4, IRAK3, IRAK1 KMT2A 551/4885HTT 3929/4885MEN1 2601/4885
US-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors KIT, PRKCH, PRKCE KMT2A 646/4885HTT 3827/4885MEN1 2421/4885
US-20230242543-A1 CDK Inhibitors And Their Use As Pharmaceuticals CDK6, CDK3, CDK9 KMT2A 282/4885HTT 2933/4885MEN1 2119/4885
US-20200123132-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 KMT2A 3803/4885HTT 1294/4885MEN1 4292/4885
US-20090203577-A1 Azepinoindole Derivatives As Pharmaceutical Agents NR1H4, NR1I2, GPBAR1 KMT2A 4612/4885HTT 4543/4885MEN1 1728/4885
US-20210070761-A1 CDK INHIBITORS AND THEIR USE AS PHARMACEUTICALS CDK6, CDK3, CDK9 KMT2A 282/4885HTT 2933/4885MEN1 2119/4885

“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.