SCHEMBL4501683

SCHEMBL4501683

C1=Cc2cccc3ccn(c23)-c2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 10/20 0.36
MAPK1 P28482 2/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
SCN4A P35499 1/20 0.36
SCN5A Q14524 1/20 0.36
SCN9A Q15858 1/20 0.36
MTNR1A P48039 2/20 0.33
MTNR1B P49286 2/20 0.33
P2RX1 P51575 4/20 0.33
P2RX3 P56373 4/20 0.33
P2RX7 Q99572 2/20 0.33
CHRM2 P08172 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
CHRM1 P11229 1/20 0.32
DRD2 P14416 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
DRD1 P21728 1/20 0.32

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
SCHEMBL16523549 0.77
SCHEMBL4488793 0.74 TRPA1 (0.36) LMNABIRC5
SCHEMBL4515505 0.74 TRPA1 (0.36) LMNABIRC5
SCHEMBL17809829 0.71 ALDH1A1 (0.38) MAPK1TSHRHTR2ACACNA1BMEN1
SCHEMBL8917082 0.68 P2RX4 (0.38) P2RX4MAPK1SMN1; SMN2NPSR1
SCHEMBL11445585 0.68 PDE6D (0.33) NPSR1
SCHEMBL14345598 0.65 LMNA (0.46) P2RX4MAPK1LMNATSHRSCN4A
SCHEMBL22548522 0.63 ALDH1A1 (0.46) P2RX4TSHRPOLB
SCHEMBL3125224 0.63 PARP1 (0.37) TSHRHTR1AMEN1KMT2A
SCHEMBL4501824 0.61

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 30 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
US-20090264467-A1 Agents and crystals for improving excretory potency of urinary bladder ISHIHARA YUJI 2009-10-22 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-20060281725-A1 Agents and crystals for improving excretory potency of urinary bladder ISIHARA YUJI 2006-12-14 US disclosed
US-7138533-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-21 US disclosed
US-7132547-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-07 US disclosed
US-20060211675-A1 Preventives/remedies for urinary disturbance ISHIHARA YUJI 2006-09-21 US disclosed
EP-1310490-A1 GPR14 ANTAGONIST Takeda Chemical Industries, Ltd. (JP) 2003-05-14 EP disclosed
EP-1308513-A1 USE OF POLYPEPTIDE Takeda Chemical Industries, Ltd. (JP) 2003-05-07 EP 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
EP-1118322-A1 DRUGS FOR IMPROVING VESICAL EXCRETORY STRENGTH Takeda Chemical Industries, Ltd. (JP) 2001-07-25 EP 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
WO-1994003455-A1 PYRIDOINDOLOBENZODIAZEPINES AND DERIVATIVES AS ANTIPSYCHOTICS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-02-17 WO disclosed
US-4018930-A ANALGESICS, SEDATIVES, TRANQUILIZERS ENDO LABORATORIES, INC. (US) 1977-04-19 US disclosed
US-3983123-A CNS ANTIDEPRESSANTS ENDO LABORATORIES, INC. (US) 1976-09-28 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 P2RX4 2847/4885MAPK1 3860/4885LMNA 2527/4885
US-20090264467-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A P2RX4 2097/4885MAPK1 2350/4885LMNA 3454/4885
US-20020177593-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BPHL, BCHE P2RX4 1961/4885MAPK1 2369/4885LMNA 3299/4885
US-20070232538-A1 Uses of polypeptides NPSR1, SCTR, GRPR P2RX4 630/4885MAPK1 2089/4885LMNA 3551/4885
US-20060281725-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A P2RX4 2310/4885MAPK1 2209/4885LMNA 3396/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE P2RX4 3455/4885MAPK1 4161/4885LMNA 2218/4885

“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.