SCHEMBL762870

SCHEMBL762870

C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4ccn(Cc5cccc([N+](=O)[O-])c5)c34)C[C@@H]2N1C(=O)NCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 20/20 0.62

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
SCHEMBL2895028 0.91 CYP3A4 (0.65) CYP3A4
SCHEMBL10291352 0.90 CYP3A4 (0.64) CYP3A4
SCHEMBL13156653 0.87 CYP3A4 (0.71) CYP3A4
SCHEMBL2875904 0.85 CYP3A4 (0.69) CYP3A4
SCHEMBL762798 0.85 CYP3A4 (0.69) CYP3A4
SCHEMBL12222035 0.84 CYP3A4 (0.74) CYP3A4
SCHEMBL13028919 0.82 CYP3A4 (0.61) CYP3A4
SCHEMBL748637 0.82 CYP3A4 (0.69) CYP3A4
SCHEMBL2877823 0.82 CYP3A4 (0.69) CYP3A4
SCHEMBL13028842 0.82 CYP3A4 (0.60) CYP3A4

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 12 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-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-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-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-20100286094-A1 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF CHOONGWAE PHARMA CORPORATION (KR) 2010-11-11 US disclosed
US-20100240662-A1 REVERSE-TURN MIMETICS AND METHOD RELATING THERETO CHOONGWAE PHARMA CORPORATION (KR) 2010-09-23 US disclosed
US-20100240662-A1 REVERSE-TURN MIMETICS AND METHOD RELATING THERETO CHOONGWAE PHARMA CORPORATION (KR) 2010-09-23 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 (2 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 3226/4885
US-20100240662-A1 REVERSE-TURN MIMETICS AND METHOD RELATING THERETO WNT1, WNT3, APC CYP3A4 3595/4885

“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.