SCHEMBL3381491

SCHEMBL3381491

c1ccc2c(c1)Oc1ccccc1C21CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.50
HTR2A P28223 4/20 0.46
HTR2C P28335 2/20 0.46
DRD2 P14416 2/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
HTR2B P41595 1/20 0.42
BACE1 P56817 1/20 0.42
OPRD1 P41143 5/20 0.41
KCNH2 Q12809 3/20 0.41
OPRK1 P41145 1/20 0.41
ALOX5 P09917 1/20 0.40
SIGMAR1 Q99720 4/20 0.39
AKT2 P31751 1/20 0.37

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 SCHEMBL11389522 0.98 OPRM1 (0.48) OPRM1HTR2AHTR2CDRD2SLC6A2
SCHEMBL7675510 0.86 HTR2C (0.46) OPRM1HTR2AHTR2CDRD2SLC6A2
SCHEMBL4214131 0.85 TNKS (0.45) OPRM1HTR2AHTR2CDRD2SLC6A2
Hydrochloric Acid SCHEMBL6394950 0.84 TNKS (0.44) OPRM1HTR2AHTR2CDRD2SLC6A2
SCHEMBL11247226 0.84 BACE1 (0.41) OPRM1HTR2AHTR2CDRD2SLC6A2
SCHEMBL29178999 0.84 OPRM1 (0.50) OPRM1HTR2AHTR2CDRD2SLC6A2
Bromide SCHEMBL11474108 0.82 BACE1 (0.40) OPRM1HTR2AHTR2CDRD2SLC6A2
SCHEMBL14595436 0.81 ALOX5 (0.39) HTR2AALOX5
SCHEMBL11387845 0.79 SIGMAR1 (0.50) OPRM1HTR2AHTR2CDRD2OPRD1
SCHEMBL1223340 0.77 OPRM1 (0.56) OPRM1HTR2AHTR2CDRD2SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252814-B2 Agents and crystals for improving excretory potency of urinary bladder TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-28 US disclosed
EP-1896467-B1 TRICYCLIC OPIOID MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-01 EP disclosed
US-20090275610-A1 TRICYCLIC OPIOID MODULATORS DECORTE BART 2009-11-05 US disclosed
US-20090264467-A1 Agents and crystals for improving excretory potency of urinary bladder ISHIHARA YUJI 2009-10-22 US disclosed
US-7582650-B2 Tricyclic opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2009-09-01 US disclosed
US-7462628-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-09 US disclosed
EP-1891954-A2 Acetylcholinesterase inhibitors for improving excretory potency of urinary bladder Takeda Pharmaceutical Company Limited (JP) 2008-02-27 EP disclosed
US-20070232538-A1 Uses of polypeptides TAKEDA PHARMACEUTICAL COMPANY, LTD (JP) 2007-10-04 US disclosed
US-20070021391-A1 Preventive/remedy for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-25 US disclosed
US-20060287297-A1 TRICYCLIC OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-21 US disclosed
US-6534496-B1 Prophylactic and/or therapeutic drug for obesity and obesity associated diseasestor diabetes with a reduced risk for central side effects and high universality in usage. Another object of the a lipolytic agent, or a prophylactic and/or TAKEDA CHEMICAL INDUSTRIES, INC. (JP) 2003-03-18 US disclosed
US-20020177593-A1 Agents and crystals for improving excretory potency of urinary bladder TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2002-11-28 US disclosed
US-6387893-B1 ADRENERGIC BLOCKING AGENT; BENIGN PROSATATIC HYPERPLASIA MERCK & CO., INC. 2002-05-14 US disclosed
EP-1118322-A1 DRUGS FOR IMPROVING VESICAL EXCRETORY STRENGTH Takeda Chemical Industries, Ltd. (JP) 2001-07-25 EP disclosed
US-5814642-A CHOLINESTERASE INHIBITORY COMPOSITION FOR TREATMENT OF SENILE DEMENTIA TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-29 US disclosed
US-5620973-A CHOLINESTERASE INHIBITOR; ALZHEIMER*S DISEASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-04-15 US disclosed
EP-0655451-A1 Tetracyclic condensed heterocyclic compounds for the treatment of senile dementia TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-05-31 EP disclosed
US-4268514-A ANALGESICS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1981-05-19 US disclosed
US-4198420-A Spiro[dibenz(b,f)thiepin-piperidine]s AMERICAN HOECHST CORPORATION (US) 1980-04-15 US disclosed
US-4198418-A ANALGESICS, TRANQUILIZERS, ANTICONVULSANTS AMERICAN HOECHST CORPORATION (US) 1980-04-15 US 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 (6 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-20070021391-A1 Preventive/remedy for urinary disturbance ACHE, BCHE, CHAT OPRM1 1053/4885HTR2A 2494/4885HTR2C 3019/4885
US-20060287297-A1 TRICYCLIC OPIOID MODULATORS OPRD1, OPRM1, OPRK1 OPRM1 2/4885HTR2A 269/4885HTR2C 148/4885
US-20090264467-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A OPRM1 974/4885HTR2A 3081/4885HTR2C 2108/4885
US-20020177593-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BPHL, BCHE OPRM1 1269/4885HTR2A 4049/4885HTR2C 3047/4885
US-20090275610-A1 TRICYCLIC OPIOID MODULATORS OPRD1, OPRM1, OPRK1 OPRM1 2/4885HTR2A 269/4885HTR2C 148/4885
US-20070232538-A1 Uses of polypeptides NPSR1, SCTR, GRPR OPRM1 377/4885HTR2A 93/4885HTR2C 155/4885

“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.