SCHEMBL1417641

SCHEMBL1417641

COC(=O)C1CCc2[nH]cnc2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 2/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
SLC6A4 P31645 1/20 0.40
OPRK1 P41145 1/20 0.40
HTR2B P41595 1/20 0.40
KCNH2 Q12809 1/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
ADRA1A P35348 5/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39
ADRA1D P25100 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MMP8 P22894 2/20 0.38

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
Hydrochloric Acid SCHEMBL6846874 0.99 HTR3A (0.39) HTR3AADRA2AADRA2BADRA2CSLC6A4
Sulfuric Acid SCHEMBL7331212 0.95 MMP8 (0.40) HTR3AADRA2AADRA2BADRA2CSLC6A4
SCHEMBL8542781 0.88 HTR3A (0.50) HTR3AADRA2AADRA2BADRA2CSLC6A4
SCHEMBL8482514 0.85 PDK1 (0.46) HTR3AADRA2AADRA2BADRA2CSLC6A4
Sulfuric Acid SCHEMBL7331218 0.83 HTR3A (0.47) HTR3AADRA2AADRA2BADRA2CSLC6A4
SCHEMBL13531413 0.83 HTR3A (0.42) HTR3AADRA2AADRA2BADRA2CSLC6A4
SCHEMBL13531389 0.83 HTR3A (0.42) HTR3AADRA2AADRA2BADRA2CSLC6A4
SCHEMBL3176458 0.81 ADRA1A (0.42) HTR3AADRA2AADRA2BADRA2CSLC6A4
SCHEMBL3176454 0.81 ADRA1A (0.42) HTR3AADRA2AADRA2BADRA2CSLC6A4
SCHEMBL6849691 0.81 HTR3A (0.37) HTR3AADRA2AADRA2BADRA2CSLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2298747-B1 TRIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2016-12-28 EP disclosed
US-8377923-B2 Triazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2013-02-19 US disclosed
US-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-05-05 US disclosed
EP-2298747-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2011-03-23 EP disclosed
US-6756384-B2 TREATMENT OF DISEASES AND DISORDERS RELATED TO THE HISTAMINE H3 RECEPTOR. NOVO NORDISK A/S (DK) 2004-06-29 US disclosed
US-20030135056-A1 Imidazole compounds HIGH POINT PHARMACEUTICALS, LLC 2003-07-17 US disclosed
EP-1268484-A1 CONDENSED IMIDAZOLES AS HISTAMINE H3 RECEPTOR LIGANDS NOVO NORDISK A/S (DK) 2003-01-02 EP disclosed
US-6437147-B1 FOR THERAPY OF DISEASES OF CENTRAL NERVOUS SYSTEM, PERIPHERAL NERVOUS SYSTEM, CARDIOVASCULAR SYSTEM, PULMONARY SYSTEM, GASTROINTESTINAL SYSTEM AND ENDOCRINOLOGICAL SYSTEM NOVO NORDISK (DK) 2002-08-20 US disclosed
US-20020058659-A1 Imidazole compounds HIGH POINT PHARMACEUTICALS, LLC 2002-05-16 US disclosed
WO-2001068652-A1 CONDENSED IMIDAZOLES AS HISTAMINE H3 RECEPTOR LIGANDS NOVO NORDISK A/S (DK) 2001-09-20 WO disclosed
EP-0721949-B1 INDOLINE COMPOUND AND 5-HT 3? RECEPTOR ANTAGONIST CONTAINING THE SAME AS ACTIVE INGREDIENT TOKYO TANABE CO (JP) 1998-01-07 EP disclosed
US-5677326-A GASTROINTESTINAL DISORDERS TOKYO TANABE COMPANY LIMITED (JP) 1997-10-14 US disclosed
EP-0721949-A1 INDOLINE COMPOUND AND 5-HT 3? RECEPTOR ANTAGONIST CONTAINING THE SAME AS ACTIVE INGREDIENT TOKYO TANABE COMPANY LIMITED (JP) 1996-07-17 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 (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-20030135056-A1 Imidazole compounds HRH3, HRH4, HRH2 HTR3A 53/4885ADRA2A 155/4885ADRA2B 218/4885
US-20020058659-A1 Imidazole compounds HRH3, HRH4, HRH2 HTR3A 53/4885ADRA2A 155/4885ADRA2B 218/4885
US-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF HSD11B1, HSD11B2, HSD3B1 HTR3A 180/4885ADRA2A 2171/4885ADRA2B 1399/4885

“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.