SCHEMBL1177795

SCHEMBL1177795

O=[C]N1CCCc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
NOTUM Q6P988 1/20 0.50
SIGMAR1 Q99720 1/20 0.49
ALDH1A1 P00352 3/20 0.45
HTT P42858 2/20 0.45
MAPT P10636 2/20 0.45
HPGD P15428 1/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MGLL Q99685 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
TSHR P16473 1/20 0.44
POLB P06746 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
MAPK1 P28482 1/20 0.44
GAA P10253 1/20 0.43

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
SCHEMBL16340760 0.94 SMN1; SMN2 (0.47) SMN1; SMN2NOTUMSIGMAR1TSHRCHRM2
SCHEMBL223607 0.88 ALDH1A1 (0.48) SMN1; SMN2NOTUMSIGMAR1ALDH1A1MAPT
SCHEMBL7954287 0.81 SMN1; SMN2 (0.49) SMN1; SMN2NOTUMSIGMAR1ALDH1A1HTT
SCHEMBL3692340 0.81 SMN1; SMN2 (0.49) SMN1; SMN2NOTUMSIGMAR1ALDH1A1HTT
SCHEMBL30486081 0.75 SMN1; SMN2 (0.55) SMN1; SMN2NOTUMSIGMAR1ALDH1A1HTT
SCHEMBL1177123 0.75 ALDH1A1 (0.58) NOTUMALDH1A1HTTMAPTHPGD
SCHEMBL2827646 0.73 ALDH1A1 (0.57) SMN1; SMN2ALDH1A1MEN1KMT2ACHRM2
SCHEMBL10441142 0.73 SMN1; SMN2 (0.49) SMN1; SMN2NOTUMSIGMAR1ALDH1A1HTT
SCHEMBL1177380 0.72 HSD17B10 (0.58) NOTUMMEN1KMT2ATSHR
Water SCHEMBL27508232 0.72 SMN1; SMN2 (0.47) SMN1; SMN2NOTUMSIGMAR1ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7560450-B2 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2009-07-14 US claimed
JP-2006508969-A 2006-03-16 JP claimed
EP-1565468-A1 NOVEL XANTHIN DERIVATIVES, PRODUCTION AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2005-08-24 EP claimed
US-20040138215-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-15 US claimed
WO-2004046148-A1 NOVEL XANTHIN DERIVATIVES, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-06-03 WO claimed
US-20030232864-A1 Novel Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-12-18 US claimed
JP-2002539201-A 2002-11-19 JP claimed
EP-1161422-A1 AMINE DERIVATIVES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-12-12 EP claimed
WO-2000055144-A1 AMINE DERIVATIVES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-09-21 WO claimed
EP-0158954-A2 Tetrahydroquinolin-1-yl carbonyl imidazole derivatives, their intermediates; process for their preparation and herbicides or fungicides for agriculture or horticulture NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1985-10-23 EP claimed
US-8575153-B2 Pyridine-3-carboxyamide derivative KOWA COMPANY, LTD. (JP) 2013-11-05 US disclosed
US-8324204-B2 Fused thiophene derivatives as kinase inhibitors UCB PHARMA SA (BE) 2012-12-04 US disclosed
US-8273740-B2 antiallergen; not direct way to change nature of immunological response to allergen; G-protein-coupled \"chemoattractant receptor-homologous molecule expressed on Th2 cells (CRTH2)\" antagonist for prostaglandin PGD2, that mediates PGD2-dependent migration of blood Th2 cells; ; asthma, rhinitis, COPD ACTELION PHARMACEUTICALS, LTD. (CH) 2012-09-25 US disclosed
US-8242116-B2 Fused thiazole derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2012-08-14 US disclosed
US-8168634-B2 Thiazole derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2012-05-01 US disclosed
US-5284828-A Hypotensive agents FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 1994-02-08 US disclosed
EP-0457195-A2 Peptides having endothelin antagonist activity, a process for preparation thereof and pharmaceutical compositions comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-11-21 EP disclosed
EP-0173208-A1 Tetrahydroquinolin-1-yl-carbonyl-imidazole derivatives NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1986-03-05 EP disclosed
EP-0173208-A1 Tetrahydroquinolin-1-yl-carbonyl-imidazole derivatives NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1986-03-05 EP disclosed
EP-0158954-A2 Tetrahydroquinolin-1-yl carbonyl imidazole derivatives, their intermediates; process for their preparation and herbicides or fungicides for agriculture or horticulture NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1985-10-23 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 (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-20040138215-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 SMN1; SMN2 2204/4885NOTUM 976/4885SIGMAR1 1545/4885
US-20030232864-A1 Novel Compounds and compositions as protease inhibitors SERPINB1, CTRL, CTSZ SMN1; SMN2 4034/4885NOTUM 574/4885SIGMAR1 3571/4885

“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.