SCHEMBL747805

SCHEMBL747805

COc1ccc(CNC(=O)N2[C@H]3CN([C@H](C)c4ccccc4)C(=O)[C@H](CC(=O)O)N3C(=O)CN2C)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 2/20 0.41
▸ NR3C2 P08235 1/20 0.40
▸ CYP3A4 P08684 3/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.40
▸ LMNA P02545 2/20 0.40
▸ CASR P41180 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CLPP Q16740 1/20 0.39
▸ TCF4 P15884 1/20 0.38
▸ CTNNB1 P35222 1/20 0.38
▸ CREBBP Q92793 1/20 0.38
▸ POLB P06746 1/20 0.37

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
SCHEMBL748435 1.00 CCR5 (0.41) CCR5NR3C2CYP3A4HRH3LMNA
SCHEMBL10259881 1.00 CCR5 (0.41) CCR5NR3C2CYP3A4HRH3LMNA
SCHEMBL748474 0.93 POLB (0.41) NR3C2CYP3A4HRH3LMNAMEN1
SCHEMBL744697 0.93 ITGB1 (0.41) CCR5CYP3A4HRH3KMT2ACLPP
SCHEMBL762247 0.93 ITGB1 (0.41) CCR5CYP3A4HRH3KMT2ACLPP
SCHEMBL750769 0.92 CCR5 (0.40) CCR5NR3C2CYP3A4HRH3LMNA
SCHEMBL750730 0.92 CCR5 (0.40) CCR5NR3C2CYP3A4HRH3LMNA
SCHEMBL749733 0.92 CYP3A4 (0.47) CCR5NR3C2CYP3A4TCF4CTNNB1
SCHEMBL10226430 0.92 CYP3A4 (0.47) CCR5NR3C2CYP3A4TCF4CTNNB1
SCHEMBL763339 0.92 CLPP (0.42) CCR5NR3C2CYP3A4HRH3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150057283-A1 REVERSE-TURN MIMETICS AND METHOD RELATING THERETO CHOONGWAE PHARMA CORPORATION (KR) 2015-02-26 — — US disclosed
US-8729262-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2014-05-20 — — US disclosed
US-8318738-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2012-11-27 — — US disclosed
US-8318738-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2012-11-27 — — US disclosed
US-8138337-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2012-03-20 — — US disclosed
US-8106049-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2012-01-31 — — US disclosed
US-20110294797-A1 REVERSE-TURN MIMETICS AND METHOD RELATING THERETO CHOONGWAE PHARMA CORPORATION (KR) 2011-12-01 — — US disclosed
US-8049008-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2011-11-01 — — US disclosed
US-20110257185-A1 REVERSE-TURN MIMETICS AND METHOD RELATING THERETO CHOONGWAE PHARMA CORPORATION (KR) 2011-10-20 — — US disclosed
US-7932384-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2011-04-26 — — US disclosed
US-7585862-B2 Colorectal cancer, restenosis associated with angioplasty, polycystic kidney disease, aberrant angiogenesis disease, rheumatoid arthritis disease, tuberous sclerosis complex, Alzheimer's disease, excess hair growth or loss CHOONGWAE PHARMA CORPORATION (KR) 2009-09-08 — — US disclosed
US-7585862-B2 Colorectal cancer, restenosis associated with angioplasty, polycystic kidney disease, aberrant angiogenesis disease, rheumatoid arthritis disease, tuberous sclerosis complex, Alzheimer's disease, excess hair growth or loss CHOONGWAE PHARMA CORPORATION (KR) 2009-09-08 — — US disclosed
US-7576084-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2009-08-18 — — 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-7566711-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2009-07-28 — — US disclosed
US-7232822-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2007-06-19 — — US disclosed
US-7232822-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2007-06-19 — — 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 (5 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-20150057283-A1 REVERSE-TURN MIMETICS AND METHOD RELATING THERETO WNT1, APC, WNT3 CCR5 2680/4885NR3C2 915/4885CYP3A4 4757/4885
US-20070043052-A1 Reverse-turn mimetics and method relating thereto WNT1, APC, WNT3 CCR5 2680/4885NR3C2 915/4885CYP3A4 4757/4885
US-20110257185-A1 REVERSE-TURN MIMETICS AND METHOD RELATING THERETO WNT1, APC, WNT3 CCR5 2680/4885NR3C2 915/4885CYP3A4 4757/4885
US-20070021425-A1 Reverse-turn mimetics and method relating thereto WNT1, APC, WNT3 CCR5 2680/4885NR3C2 915/4885CYP3A4 4757/4885
US-20110294797-A1 REVERSE-TURN MIMETICS AND METHOD RELATING THERETO WNT1, APC, WNT3 CCR5 2680/4885NR3C2 915/4885CYP3A4 4757/4885

“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.

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