SCHEMBL749259

SCHEMBL749259

CN1CC(=O)N2[C@@H](Cc3ccc(OP(=O)(O)O)cc3)C(=O)N(Cc3cccc4cnn(C)c34)C[C@@H]2N1C(=O)NCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 4/20 0.60
TCF4 P15884 3/20 0.60
CREBBP Q92793 2/20 0.60
CYP3A4 P08684 15/20 0.52
CLPP Q16740 2/20 0.51
TCF7 P36402 2/20 0.50
BCL9 O00512 1/20 0.50

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
SCHEMBL14620313 0.93 CTNNB1 (0.52) CTNNB1TCF4CREBBPCYP3A4CLPP
SCHEMBL10291397 0.92 CTNNB1 (0.52) CTNNB1TCF4CREBBPCYP3A4CLPP
SCHEMBL10227752 0.92 CYP3A4 (0.60) CTNNB1TCF4CREBBPCYP3A4CLPP
SCHEMBL751020 0.92 CYP3A4 (0.60) CTNNB1TCF4CREBBPCYP3A4CLPP
SCHEMBL748379 0.91 CLPP (0.63) CTNNB1TCF4CREBBPCYP3A4CLPP
SCHEMBL748459 0.90 TCF4 (0.55) CTNNB1TCF4CREBBPCYP3A4CLPP
SCHEMBL12222464 0.89 TCF4 (0.47) CTNNB1TCF4CREBBPCYP3A4CLPP
SCHEMBL749276 0.88 CTNNB1 (0.77) CTNNB1TCF4CREBBPCYP3A4CLPP
SCHEMBL748099 0.84 CYP3A4 (0.56) CTNNB1TCF4CREBBPCYP3A4CLPP
SCHEMBL747980 0.83 CLPP (0.65) CTNNB1TCF4CREBBPCYP3A4CLPP

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 13 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-8101751-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2012-01-24 US disclosed
US-8049008-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2011-11-01 US disclosed
US-7932384-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2011-04-26 US disclosed
US-20100240662-A1 REVERSE-TURN MIMETICS AND METHOD RELATING THERETO CHOONGWAE PHARMA CORPORATION (KR) 2010-09-23 US disclosed
US-20100222303-A1 REVERSE-TURN MIMETICS AND METHOD RELATING THERETO CHOONGWAE PHARMA CORPORATION (KR) 2010-09-02 US disclosed
US-20100081655-A1 REVERSE-TURN MIMETICS AND METHOD RELATING THERETO CHOONGWAE PHARMA CORPORATION (KR) 2010-04-01 US disclosed
US-7671054-B1 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2010-03-02 US disclosed
US-20100029630-A1 REVERSE-TURN MIMETICS AND METHOD RELATING THERETO Chongwae Pharma Corporation (KR) 2010-02-04 US disclosed
US-7576084-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2009-08-18 US disclosed
US-7566711-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2009-07-28 US disclosed
US-20070043052-A1 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2007-02-22 US disclosed
US-20070021425-A1 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2007-01-25 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 (6 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-20100222303-A1 REVERSE-TURN MIMETICS AND METHOD RELATING THERETO WNT1, WNT3, APC CTNNB1 9/4885TCF4 60/4885CREBBP 346/4885
US-20100029630-A1 REVERSE-TURN MIMETICS AND METHOD RELATING THERETO WNT1, APC, WNT3 CTNNB1 14/4885TCF4 50/4885CREBBP 196/4885
US-20070043052-A1 Reverse-turn mimetics and method relating thereto WNT1, APC, WNT3 CTNNB1 14/4885TCF4 50/4885CREBBP 196/4885
US-20100081655-A1 REVERSE-TURN MIMETICS AND METHOD RELATING THERETO WNT1, APC, WNT3 CTNNB1 14/4885TCF4 50/4885CREBBP 196/4885
US-20100240662-A1 REVERSE-TURN MIMETICS AND METHOD RELATING THERETO WNT1, WNT3, APC CTNNB1 9/4885TCF4 60/4885CREBBP 346/4885
US-20070021425-A1 Reverse-turn mimetics and method relating thereto WNT1, APC, WNT3 CTNNB1 14/4885TCF4 50/4885CREBBP 196/4885

“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.