SCHEMBL3188745

SCHEMBL3188745

COc1ccc(NC(=O)C2CCCCC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 3/20 0.69
ENPP1 P22413 3/20 0.69
PTPN1 P18031 1/20 0.68
NPC1 O15118 2/20 0.68
RAB9A P51151 2/20 0.68
ENPP2 Q13822 2/20 0.66
STS P08842 1/20 0.65
HTT P42858 1/20 0.64
EPHX2 P34913 2/20 0.64
EPHX1 P07099 1/20 0.64
MEN1 O00255 1/20 0.63
KMT2A Q03164 1/20 0.63
HPGD P15428 2/20 0.63
MTNR1A P48039 1/20 0.62
MTNR1B P49286 1/20 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
SCHEMBL5205624 0.98 NPC1 (0.69) ENPP3ENPP1PTPN1NPC1RAB9A
SCHEMBL8324607 0.92 MTNR1A (0.71) NPC1RAB9AHTTHPGDMTNR1A
SCHEMBL18877692 0.92 RAB9A (0.64) ENPP3ENPP1PTPN1NPC1RAB9A
SCHEMBL18877691 0.92 RAB9A (0.64) ENPP3ENPP1PTPN1NPC1RAB9A
SCHEMBL3995294 0.90 ENPP3 (0.59) ENPP3ENPP1PTPN1NPC1RAB9A
SCHEMBL125695 0.86 PTPN1 (0.89) ENPP3ENPP1PTPN1NPC1RAB9A
SCHEMBL28656982 0.86 PTPN1 (0.89) ENPP3ENPP1PTPN1NPC1RAB9A
SCHEMBL30518933 0.86 MTNR1A (0.64) NPC1RAB9AHTTMEN1KMT2A
SCHEMBL3197669 0.84 MTNR1A (0.63) NPC1RAB9AHTTHPGDMTNR1A
SCHEMBL3197659 0.84 MTNR1A (0.63) NPC1RAB9AHTTHPGDMTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114213255-A Synthetic method of six-membered ring benzylamine compound 上海泰坦科技股份有限公司 2022-03-22 CN disclosed
CN-113226296-A SSAO inhibitors and uses thereof 梅塔科林公司 2021-08-06 CN disclosed
EP-3215142-B1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES INC (US) 2021-03-24 EP disclosed
CN-102702013-B Nuclear receptor binding agents GTX INC. (US) 2016-02-10 CN disclosed
CN-102351732-B Nuclear receptor binding agents GTX INC. (US) 2014-10-29 CN disclosed
CN-102702013-A Nuclear receptor binding agents GTX INC 2012-10-03 CN disclosed
CN-102351732-A Nuclear receptor binding agents GTX INC 2012-02-15 CN disclosed
US-20100035863-A1 2 Amino-Pyrimidine Derivatives As H4 Receptor Antagonists, Processes For Preparing Them And Their Use In Pharmaceutical Compositions UCB PHARMA, S.A. (BE) 2010-02-11 US disclosed
CN-101336227-A Nuclear receptor binding agents GTX INC (US) 2008-12-31 CN disclosed
US-7220532-B2 Chemical amplification type resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-22 US disclosed
US-7220532-B2 Chemical amplification type resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-22 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-20100035863-A1 2 Amino-Pyrimidine Derivatives As H4 Receptor Antagonists, Processes For Preparing Them And Their Use In Pharmaceutical Compositions HRH4, HRH2, HRH3 ENPP3 1670/4885ENPP1 1351/4885PTPN1 4110/4885

“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.