SCHEMBL744588

SCHEMBL744588

CN1CC(=O)N2[C@@H](c3ccccc3)C(=O)N(CC3CCCO3)C[C@@H]2N1C(=O)NCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ USP2 O75604 1/20 0.40
▸ CYP2C19 P33261 2/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ HPGD P15428 1/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ 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
SCHEMBL748848 0.95 RXFP1 (0.39) ALDH1A1NPC1RXFP1USP2CYP2C19
SCHEMBL749573 0.93 TSHR (0.43) ALDH1A1RXFP1CYP2C19LMNAHPGD
SCHEMBL13369086 0.91 ALDH1A1 (0.41) ALDH1A1NPC1RXFP1USP2CYP2C19
SCHEMBL745394 0.89 CLPP (0.45) CYP3A4
SCHEMBL748323 0.88 ALDH1A1 (0.41) ALDH1A1USP2CYP2C19MAPK1CYP3A4
SCHEMBL747271 0.88 ALDH1A1 (0.41) ALDH1A1USP2CYP2C19MAPK1POLB
SCHEMBL745943 0.87 ALDH1A1 (0.41) ALDH1A1USP2CYP2C19MAPK1CYP3A4
SCHEMBL748030 0.87 ALDH1A1 (0.39) ALDH1A1NPC1RXFP1USP2CYP2C19
SCHEMBL747597 0.87 NPSR1 (0.41) ALDH1A1NPC1CYP2C19LMNATP53
SCHEMBL748325 0.87 ALDH1A1 (0.40) ALDH1A1USP2CYP2C19MAPK1CYP3A4

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 31 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-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-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-8106049-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2012-01-31 — — US disclosed
US-8101751-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2012-01-24 — — 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-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

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-20100029630-A1 REVERSE-TURN MIMETICS AND METHOD RELATING THERETO WNT1, APC, WNT3 ALDH1A1 4305/4885NPC1 3574/4885RXFP1 262/4885
US-20150057283-A1 REVERSE-TURN MIMETICS AND METHOD RELATING THERETO WNT1, APC, WNT3 ALDH1A1 4305/4885NPC1 3574/4885RXFP1 262/4885

“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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