SCHEMBL4407481

SCHEMBL4407481

O=S1(=O)CCN(c2ncc(Br)cn2)CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 1/20 0.39
AOC3 Q16853 1/20 0.38
ACHE P22303 1/20 0.38
KDM4E B2RXH2 2/20 0.37
OPRM1 P35372 1/20 0.37
OPRL1 P41146 1/20 0.37
POLB P06746 1/20 0.35
ALDH1A1 P00352 2/20 0.34
SMO Q99835 1/20 0.34
CXCR3 P49682 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC6A9 P48067 1/20 0.33
TNF P01375 1/20 0.32
MTOR P42345 1/20 0.32
CHRM4 P08173 1/20 0.32

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
SCHEMBL16793398 0.85 PANK3 (0.37) PANK3KDM4EPOLBALDH1A1SMO
SCHEMBL19145349 0.81 SLC6A9 (0.43) AOC3ACHEKDM4EOPRM1OPRL1
SCHEMBL3323407 0.77 KDM4E (0.43) PANK3KDM4EPOLBALDH1A1SMO
SCHEMBL1433020 0.77 ALDH1A1 (0.47) PANK3KDM4EPOLBALDH1A1SMO
SCHEMBL31370545 0.77 AKR1C3 (0.51) PANK3KDM4EOPRM1OPRL1ALDH1A1
SCHEMBL18186155 0.77 POLB (0.63) AOC3ACHEKDM4EOPRM1OPRL1
SCHEMBL15205930 0.77 AKR1C3 (0.51) PANK3KDM4EOPRM1OPRL1ALDH1A1
SCHEMBL19105540 0.77 PANK3 (0.39) PANK3AOC3ACHEKDM4EOPRM1
SCHEMBL20424636 0.76 POLB (0.42) AOC3ACHEOPRM1OPRL1POLB
SCHEMBL1852499 0.76 HTR3A (0.50) PANK3KDM4EALDH1A1SMOCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3573972-B1 RORGAMMA MODULATORS AND USES THEREOF GENFIT (FR) 2026-01-14 EP disclosed
US-11077115-B2 Rorgamma modulators and uses thereof GENFIT (FR) 2021-08-03 US disclosed
US-11077115-B2 Rorgamma modulators and uses thereof GENFIT (FR) 2021-08-03 US disclosed
WO-2018138359-A1 RORGAMMA MODULATORS AND USES THEREOF GENFIT (FR) 2018-08-02 WO disclosed
EP-2479165-B1 GLYCINE COMPOUND ASTELLAS PHARMA INC (JP) 2017-10-25 EP disclosed
EP-2479165-B1 GLYCINE COMPOUND ASTELLAS PHARMA INC (JP) 2017-10-25 EP disclosed
US-8802679-B2 Glycine compound ASTELLAS PHARMA INC. (JP) 2014-08-12 US disclosed
US-8802679-B2 Glycine compound ASTELLAS PHARMA INC. (JP) 2014-08-12 US disclosed
US-8802679-B2 Glycine compound ASTELLAS PHARMA INC. (JP) 2014-08-12 US disclosed
EP-2634176-A1 PYRIDINE DERIVATIVE AND MEDICINAL AGENT Nippon Shinyaku Co., Ltd. (JP) 2013-09-04 EP disclosed
US-20130225548-A1 Pyridine Derivative and Medicinal Agent NIPPON SHINYAKU CO., LTD. (JP) 2013-08-29 US disclosed
EP-2133340-B1 Novel benzazepine derivatives GLAXO GROUP LTD (GB) 2013-01-16 EP disclosed
EP-2479165-A1 GLYCINE COMPOUND Astellas Pharma Inc. (JP) 2012-07-25 EP disclosed
US-20120184520-A1 GLYCINE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-07-19 US disclosed
US-20120184520-A1 GLYCINE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-07-19 US disclosed
US-20120184520-A1 GLYCINE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-07-19 US disclosed
WO-2011034078-A1 GLYCINE COMPOUND アステラス製薬株式会社 (JP) 2011-03-24 WO disclosed
EP-2133340-A1 Novel benzazepine derivatives Glaxo Group Limited (GB) 2009-12-16 EP disclosed
CN-1326838-C Benzo[d]azepine derivatives for the treatment of neurological disorders GLAXO GROUP LTD (GB) 2007-07-18 CN 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 (3 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-20120184520-A1 GLYCINE COMPOUND SLC5A1, AQP1, VAPB PANK3 2976/4885AOC3 894/4885ACHE 4442/4885
US-20130225548-A1 Pyridine Derivative and Medicinal Agent NR0B2, NR0B1, CNKSR1 PANK3 3845/4885AOC3 1570/4885ACHE 2562/4885
US-11077115-B2 Rorgamma modulators and uses thereof RORB, RORC, RORA PANK3 2632/4885AOC3 4755/4885ACHE 4293/4885

“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.