SCHEMBL16036638

SCHEMBL16036638

CCC(N(N)C(=O)c1cc(C)cc(C)c1)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 5/20 0.40
CYP3A4 P08684 1/20 0.40
TPMT P51580 1/20 0.36
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL16036634 1.00 ABCB1 (0.40) ABCB1CYP3A4TPMTHTTNPSR1
SCHEMBL20052551 0.90 ABCB1 (0.41) ABCB1CYP3A4
SCHEMBL2682569 0.88 ABCB1 (0.40) ABCB1CYP3A4TPMT
SCHEMBL16035449 0.88 ABCB1 (0.40) ABCB1CYP3A4TPMT
SCHEMBL2682853 0.88 ABCB1 (0.40) ABCB1CYP3A4TPMT
SCHEMBL17424965 0.83 ABCB1 (0.41) ABCB1CYP3A4TPMTHTTNPSR1
SCHEMBL20383955 0.79 TPMT (0.39) ABCB1CYP3A4TPMTHTT
SCHEMBL27354891 0.79 TPMT (0.39) ABCB1CYP3A4TPMTHTT
SCHEMBL8581806 0.74 TPMT (0.45) ABCB1TPMTNPSR1
SCHEMBL20460261 0.74 TPMT (0.38) ABCB1CYP3A4TPMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10851119-B2 Boron-containing diacylhydrazines INTREXON CORPORATION (US) 2020-12-01 US disclosed
US-20200157122-A1 BORON-CONTAINING DIACYLHYDRAZINES INTREXON CORP (US) 2020-05-21 US disclosed
CN-107406373-B Boron-containing diacylhydrazine compounds 英特瑞克斯顿股份有限公司 2020-04-28 CN disclosed
EP-3194359-B1 BORON-CONTAINING DIACYLHYDRAZINE COMPOUNDS INTREXON CORP (US) 2020-04-08 EP disclosed
US-10570158-B2 Boron-containing diacylhydrazine compounds INTREXON CORPORATION (US) 2020-02-25 US disclosed
US-10464951-B2 Boron-containing diacylhydrazines INTREXON CORPORATION (US) 2019-11-05 US disclosed
US-20180201628-A1 Boron-Containing Diacylhydrazine Compounds INTREXON CORP (US) 2018-07-19 US disclosed
EP-2970106-B1 BORON-CONTAINING DIACYLHYDRAZINES INTREXON CORP (US) 2018-05-16 EP disclosed
US-9944659-B2 Boron-containing diacylhydrazine compounds INTREXON CORPORATION (US) 2018-04-17 US disclosed
US-20180079759-A1 Boron-Containing Diacylhydrazines INTREXON CORPORATION (US) 2018-03-22 US disclosed
EP-3194359-A1 BORON-CONTAINING DIACYLHYDRAZINE COMPOUNDS Intrexon Corporation (US) 2017-07-26 EP disclosed
US-9512148-B2 Boron-containing diacylhydrazines INTREXON CORPORATION (US) 2016-12-06 US disclosed
WO-2016044390-A1 BORON-CONTAINING DIACYLHYDRAZINE COMPOUNDS INTREXON CORPORATION (US) 2016-03-24 WO disclosed
US-20160083403-A1 Boron-Containing Diacylhydrazine Compounds INTREXON CORPORATION 2016-03-24 US disclosed
EP-2970106-A1 BORON-CONTAINING DIACYLHYDRAZINES Intrexon Corporation (US) 2016-01-20 EP disclosed
US-20150322092-A1 Boron-Containing Diacylhydrazines INTREXON CORPORATION (US) 2015-11-12 US disclosed
US-9127024-B2 Boron-containing diacylhydrazines INTREXON CORPORATION (US) 2015-09-08 US disclosed
WO-2014144380-A1 BORON-CONTAINING DIACYLHYDRAZINES INTREXON CORPORATION (US) 2014-09-18 WO disclosed
US-20140274954-A1 Boron-Containing Diacylhydrazines INTREXON CORPORATION 2014-09-18 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 (9 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-20160083403-A1 Boron-Containing Diacylhydrazine Compounds BRDT, CD22, BCR ABCB1 279/4885CYP3A4 3536/4885TPMT 4166/4885
US-10464951-B2 Boron-containing diacylhydrazines CD22, BRDT, BCR ABCB1 464/4885CYP3A4 3689/4885TPMT 4408/4885
US-20180201628-A1 Boron-Containing Diacylhydrazine Compounds BRDT, CD22, BCR ABCB1 279/4885CYP3A4 3536/4885TPMT 4166/4885
US-20150322092-A1 Boron-Containing Diacylhydrazines CD22, BRDT, BCR ABCB1 464/4885CYP3A4 3689/4885TPMT 4408/4885
US-10851119-B2 Boron-containing diacylhydrazines CD22, BRDT, BCR ABCB1 464/4885CYP3A4 3689/4885TPMT 4408/4885
US-20200157122-A1 BORON-CONTAINING DIACYLHYDRAZINES CD22, BRDT, BCR ABCB1 464/4885CYP3A4 3689/4885TPMT 4408/4885
US-20140274954-A1 Boron-Containing Diacylhydrazines CD22, BRDT, BCR ABCB1 464/4885CYP3A4 3689/4885TPMT 4408/4885
US-10570158-B2 Boron-containing diacylhydrazine compounds BRDT, CD22, BCR ABCB1 279/4885CYP3A4 3536/4885TPMT 4166/4885
US-20180079759-A1 Boron-Containing Diacylhydrazines CD22, BRDT, BCR ABCB1 464/4885CYP3A4 3689/4885TPMT 4408/4885

“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.