SCHEMBL236977

SCHEMBL236977

c1ccc([N]C2CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
MIF P14174 1/20 0.35
HTR3E A5X5Y0 1/20 0.35
SLC22A2 O15244 1/20 0.35
SLC22A1 O15245 1/20 0.35
SLC22A3 O75751 1/20 0.35
HTR3B O95264 1/20 0.35
PLAU P00749 1/20 0.35
HTR3A P46098 1/20 0.35
HTR3D Q70Z44 1/20 0.35
HTR3C Q8WXA8 1/20 0.35
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
MAPT P10636 3/20 0.33
NOS1 P29475 3/20 0.33
NOS3 P29474 2/20 0.33
PKM P14618 2/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 2/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL3146112 0.90 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1CHRNA7TSHR
SCHEMBL723225 0.87 ALDH1A1 (0.39) ALDH1A1KMT2AMAPTTSHRSLC18A3
SCHEMBL2508913 0.84 ALDH1A1 (0.35) ALDH1A1HTTSMN1; SMN2MAPK1
SCHEMBL7855185 0.77 TRPA1 (0.31) ALDH1A1HTT
SCHEMBL7784569 0.74 ACHE (0.40) ALDH1A1HTR3ESLC22A2SLC22A1SLC22A3
SCHEMBL10455960 0.74 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1MAPTPKM
SCHEMBL7793278 0.67 HTR3E (0.34) ALDH1A1HTR3ESLC22A2SLC22A1SLC22A3
SCHEMBL7418307 0.65 SLC22A2 (0.37) ALDH1A1SLC22A2SLC22A1SLC22A3PLAU
SCHEMBL7794523 0.65 HTR3E (0.37) ALDH1A1HTR3ESLC22A2SLC22A1SLC22A3
SCHEMBL24208239 0.64 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1MAPTPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2688568-B1 CYCLOPROPYLAMINES AS LSD1 INHIBITORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2019-06-19 EP disclosed
US-10202330-B2 Lysine specific demethylase-1 inhibitors and their use ORYZON GENOMICS, SA (ES) 2019-02-12 US disclosed
US-10064854-B2 Cyclopropylamines as LSD1 inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2018-09-04 US disclosed
EP-2480528-B1 LYSINE SPECIFIC DEMETHYLASE-1 INHIBITORS AND THEIR USE ORYZON GENOMICS SA (ES) 2018-08-29 EP disclosed
US-20180000805-A1 CYCLOPROPYLAMINES AS LSD1 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2018-01-04 US disclosed
US-9795597-B2 Cyclopropylamines as LSD1 inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-10-24 US disclosed
EP-3133059-A1 LYSINE SPECIFIC DEMETHYLASE-1 INHIBITORS AND THEIR USE Oryzon Genomics, S.A. (ES) 2017-02-22 EP disclosed
EP-2560947-B1 LYSINE SPECIFIC DEMETHYLASE-1 INHIBITORS AND THEIR USE ORYZON GENOMICS SA (ES) 2016-10-12 EP disclosed
US-20160220547-A1 CYCLOPROPYLAMINES AS LSD1 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-08-04 US disclosed
US-9346840-B2 Cyclopropylamines as LSD1 inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2016-05-24 US disclosed
US-20120283266-A1 LYSINE SPECIFIC DEMETHYLASE-1 INHIBITORS AND THEIR USE ORYZON GENOMICS S.A. (ES) 2012-11-08 US disclosed
WO-2012135113-A2 CYCLOPROPYLAMINES AS LSD1 INHIBITORS GLAXOSMITHKLINE LLC (US) 2012-10-04 WO disclosed
EP-2480528-A1 LYSINE SPECIFIC DEMETHYLASE-1 INHIBITORS AND THEIR USE Oryzon Genomics, S.A. (ES) 2012-08-01 EP disclosed
US-20120004262-A1 PHENYLCYCLOPROPYLAMINE DERIVATIVES AND THEIR MEDICAL USE ORYZON GENOMICS, S.A. (ES) 2012-01-05 US disclosed
WO-2011131697-A1 LYSINE SPECIFIC DEMETHYLASE-1 INHIBITORS AND THEIR USE ORYZON GENOMICS S.A. (ES) 2011-10-27 WO disclosed
US-20110124646-A1 Novel cyclic compound having pyrimidinylalkylthio group SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-05-26 US disclosed
WO-2011035941-A1 LYSINE SPECIFIC DEMETHYLASE-1 INHIBITORS AND THEIR USE ORYZON GENOMICS S.A. (ES) 2011-03-31 WO disclosed
US-7906511-B2 Cyclic compound having pyrimidinylalkylthio group SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-03-15 US disclosed
US-20090291951-A1 Novel Cyclic Compound Having Pyrimidinylalkylthio Group SATEN PHARMACEUTICAL CO., LTD. (JP) 2009-11-26 US disclosed
EP-1864977-A1 NOVEL CYCLIC COMPOUND HAVING PYRIMIDINYLALKYLTHIO GROUP SANTEN PHARMACEUTICAL CO., LTD. (JP) 2007-12-12 EP 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 (8 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-10064854-B2 Cyclopropylamines as LSD1 inhibitors KDM1B, KDM1A, KDM3B ALDH1A1 554/4885MIF 4060/4885HTR3E 1191/4885
US-20160220547-A1 CYCLOPROPYLAMINES AS LSD1 INHIBITORS KDM1B, KDM1A, KDM3B ALDH1A1 554/4885MIF 4060/4885HTR3E 1191/4885
US-20090291951-A1 Novel Cyclic Compound Having Pyrimidinylalkylthio Group AGTR1, AGTR2, ARRB1 ALDH1A1 134/4885MIF 1296/4885HTR3E 1686/4885
US-20120283266-A1 LYSINE SPECIFIC DEMETHYLASE-1 INHIBITORS AND THEIR USE JMJD6, KDM3A, KDM1A ALDH1A1 502/4885MIF 4174/4885HTR3E 1546/4885
US-10202330-B2 Lysine specific demethylase-1 inhibitors and their use KDM1A, KDM1B, KDM3A ALDH1A1 255/4885MIF 4540/4885HTR3E 1901/4885
US-20110124646-A1 Novel cyclic compound having pyrimidinylalkylthio group FLT1, VEGFA, FLT4 ALDH1A1 185/4885MIF 848/4885HTR3E 1880/4885
US-20180000805-A1 CYCLOPROPYLAMINES AS LSD1 INHIBITORS KDM1B, KDM1A, KDM3B ALDH1A1 554/4885MIF 4060/4885HTR3E 1191/4885
US-20120004262-A1 PHENYLCYCLOPROPYLAMINE DERIVATIVES AND THEIR MEDICAL USE PNMT, ABCB1, SNCA ALDH1A1 1344/4885MIF 1639/4885HTR3E 57/4885

“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.