SCHEMBL5774178

SCHEMBL5774178

CC(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 8/20 0.67
CHRM1 P11229 4/20 0.66
CHRM2 P08172 2/20 0.66
CHRM4 P08173 2/20 0.66
CHRM3 P20309 2/20 0.66
CHRM5 P08912 1/20 0.66
ALDH1A1 P00352 2/20 0.65
MAPK1 P28482 1/20 0.65
KDM4E B2RXH2 1/20 0.61
PMP22 Q01453 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
OPRM1 P35372 1/20 0.60
SLC18A3 Q16572 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
PLD1 Q13393 1/20 0.60

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
SCHEMBL1833332 0.88 HSD11B1 (0.68) HSD11B1CHRM1CHRM2CHRM4CHRM3
SCHEMBL1760919 0.86 HSD11B1 (0.67) HSD11B1CHRM1CHRM2CHRM4CHRM3
Hydrochloric Acid SCHEMBL3106327 0.86 HSD11B1 (0.67) HSD11B1CHRM1CHRM2CHRM4CHRM3
SCHEMBL29872667 0.86 HSD11B1 (0.67) HSD11B1CHRM1CHRM2CHRM4CHRM3
SCHEMBL22587867 0.86 CHRM1 (0.69) HSD11B1CHRM1CHRM2CHRM4CHRM3
SCHEMBL14515245 0.85 HSD11B1 (0.61) HSD11B1CHRM1CHRM2CHRM4CHRM3
SCHEMBL4669587 0.84 CHRM1 (0.91) HSD11B1CHRM1CHRM2CHRM4CHRM3
SCHEMBL14870591 0.84 HSD11B1 (0.60) HSD11B1CHRM1CHRM2CHRM4CHRM3
SCHEMBL1837629 0.83 CHRM1 (0.65) HSD11B1CHRM1CHRM2CHRM4CHRM3
SCHEMBL29975163 0.83 HSD11B1 (0.63) HSD11B1CHRM1CHRM2CHRM4CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9931347-B2 Pharmaceutical compound IOMET PHARMA LTD. (US) 2018-04-03 US disclosed
US-9931347-B2 Pharmaceutical compound IOMET PHARMA LTD. (US) 2018-04-03 US disclosed
US-20160367564-A1 Pharmaceutical Compound IOMET PHARMA LTD. (GB) 2016-12-22 US disclosed
US-20160367564-A1 Pharmaceutical Compound IOMET PHARMA LTD. (GB) 2016-12-22 US disclosed
US-9199976-B2 Haematopoietic-prostaglandin D2 synthase inhibitors THE UNIVERSITY OF QUEENSLAND (AU) 2015-12-01 US disclosed
WO-2015082499-A2 PHARMACEUTICAL COMPOUND IOMET PHARMA LTD (GB) 2015-06-11 WO disclosed
US-20130137684-A1 HAEMATOPOIETIC-PROSTAGLANDIN D2 SYNTHASE INHIBITORS THE UNIVERSITY OF QUEENSLAND (AU) 2013-05-30 US disclosed
WO-2008119741-A2 3-IMIDAZOLYL-INDOLES FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2008-10-09 WO disclosed
US-7332492-B2 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by NP Y5 receptor ASTRAZENECA AB (SE) 2008-02-19 US disclosed
US-7332492-B2 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by NP Y5 receptor ASTRAZENECA AB (SE) 2008-02-19 US disclosed
EP-0898568-B1 1-(4-PIPERIDYL)-BENZIMIDAZOLES HAVING NEUROTROPHIC ACTIVITY NEUROSEARCH AS (DK) 2006-10-04 EP disclosed
US-6180649-B1 NERVOUS SYSTEM DISORDERS; ALZHEIMER'S, HUNTINGTON, PARKINSON DISEASE NEROSEARCH A/S (DK) 2001-01-30 US disclosed
EP-0898568-A1 1-(4-PIPERIDYL)-BENZIMIDAZOLES HAVING NEUROTROPHIC ACTIVITY NEUROSEARCH A/S (DK) 1999-03-03 EP disclosed
WO-1997040035-A1 1-(4-PIPERIDYL)-BENZIMIDAZOLES HAVING NEUROTROPHIC ACTIVITY NEUROSEARCH A/S (DK) 1997-10-30 WO 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-20160367564-A1 Pharmaceutical Compound TDO2, IDO1, IDO2 HSD11B1 783/4885CHRM1 82/4885CHRM2 84/4885
US-20130137684-A1 HAEMATOPOIETIC-PROSTAGLANDIN D2 SYNTHASE INHIBITORS HPGDS, PTGES, PTGIS HSD11B1 212/4885CHRM1 4431/4885CHRM2 4129/4885

“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.