SCHEMBL748931

SCHEMBL748931

C=CCN1CC(=O)N2[C@@H](Cc3ccc(N)cc3)C(=O)N(Cc3ccc(F)cc3F)C[C@@H]2N1C(=O)NCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 19/20 0.59
TCF4 P15884 1/20 0.56
CTNNB1 P35222 1/20 0.56

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
SCHEMBL2875135 0.94 CYP3A4 (0.66) CYP3A4
SCHEMBL748794 0.94 CYP3A4 (0.66) CYP3A4
SCHEMBL747910 0.94 CYP3A4 (0.66) CYP3A4
SCHEMBL12156642 0.94 CYP3A4 (0.66) CYP3A4
SCHEMBL13745266 0.94 CYP3A4 (0.66) CYP3A4
SCHEMBL748397 0.94 CYP3A4 (0.66) CYP3A4
SCHEMBL748952 0.93 TCF4 (0.59) CYP3A4TCF4CTNNB1
SCHEMBL10291362 0.93 CYP3A4 (0.58) CYP3A4TCF4CTNNB1
SCHEMBL16524039 0.93 CYP3A4 (0.60) CYP3A4TCF4CTNNB1
SCHEMBL747512 0.91 TCF4 (0.59) CYP3A4TCF4CTNNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138337-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2012-03-20 US disclosed
US-8138337-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2012-03-20 US disclosed
US-8080657-B2 Compounds of reverse turn mimetics and the use thereof CHOONGWAE PHARMA CORPORATION (KR) 2011-12-20 US disclosed
US-8080657-B2 Compounds of reverse turn mimetics and the use thereof CHOONGWAE PHARMA CORPORATION (KR) 2011-12-20 US disclosed
US-8049008-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2011-11-01 US disclosed
US-8049008-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2011-11-01 US disclosed
US-20100286094-A1 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF CHOONGWAE PHARMA CORPORATION (KR) 2010-11-11 US disclosed
US-20100286094-A1 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF CHOONGWAE PHARMA CORPORATION (KR) 2010-11-11 US disclosed
US-7671054-B1 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2010-03-02 US disclosed
US-7671054-B1 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2010-03-02 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 (1 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-20100286094-A1 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF MCL1, MYADM, FLT3 CYP3A4 3226/4885TCF4 1783/4885CTNNB1 4355/4885

“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.