SCHEMBL5268885

SCHEMBL5268885

[CH2]CC=C(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.47
MTNR1B P49286 2/20 0.47
CHRNB2 P17787 1/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA4 P43681 1/20 0.47
SIGMAR1 Q99720 3/20 0.42
TBXAS1 P24557 3/20 0.40
AKT1 P31749 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MCOLN3 Q8TDD5 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP19A1 P11511 1/20 0.39
CYP11B2 P19099 1/20 0.39

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
SCHEMBL10967132 0.89 PTGS2 (0.44) MTNR1AMTNR1BCHRNB2CHRNB4CHRNA3
SCHEMBL10965811 0.88 CES2 (0.48) MTNR1AMTNR1BCHRNB2CHRNB4CHRNA3
SCHEMBL10967623 0.83 ERCC5 (0.42)
SCHEMBL7736497 0.81 SIGMAR1 (0.47) MTNR1AMTNR1BCHRNB2CHRNB4CHRNA3
SCHEMBL9092744 0.79 SIGMAR1 (0.53) MTNR1AMTNR1BCHRNB2CHRNB4CHRNA3
SCHEMBL8553233 0.78 CES2 (0.42) TBXAS1
SCHEMBL9481041 0.78 MTNR1A (0.46) MTNR1AMTNR1BCHRNB2CHRNB4CHRNA3
SCHEMBL4630812 0.77 MTNR1A (0.48) MTNR1AMTNR1BCHRNB2CHRNB4CHRNA3
SCHEMBL6158120 0.76 KDM1A (0.41) MTNR1AMTNR1BAKT1CYP1A2
SCHEMBL6158123 0.76 KDM1A (0.41) MTNR1AMTNR1BAKT1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1839657-A2 A method for treating vascular headaches THE GENERAL HOSPITAL CORPORATION (US) 2007-10-03 EP claimed
EP-0789567-A4 A METHOD FOR TREATING VASCULAR HEADACHES GEN HOSPITAL CORP (US) 1999-01-13 EP claimed
EP-0789567-A1 A METHOD FOR TREATING VASCULAR HEADACHES THE GENERAL HOSPITAL CORPORATION (US) 1997-08-20 EP claimed
EP-0319986-B1 Anti-plasmin depressant NIPPON SHINYAKU CO LTD (JP) 1997-03-12 EP claimed
WO-1996015782-A1 A METHOD FOR TREATING VASCULAR HEADACHES THE GENERAL HOSPITAL CORPORATION (US) 1996-05-30 WO claimed
EP-1839657-A2 A method for treating vascular headaches THE GENERAL HOSPITAL CORPORATION (US) 2007-10-03 EP disclosed
US-20040266802-A1 Tricyclic analgesics CALVET ALAIN (US) 2004-12-30 US disclosed
US-20030143729-A1 DNA encoding taurine and GABA transporters and uses thereof SYNAPTIC PHARMACEUTICAL CORPORATION 2003-07-31 US disclosed
EP-1235808-A2 TRICYCLIC ANALGESICS WARNER-LAMBERT COMPANY (US) 2002-09-04 EP disclosed
US-6407096-B1 1,4-BENZOTHIAZINE AND 1,4-BENZOXAZINE DERIVATIVES; HYPOTENSIVE, ANTIISCHEMIC, ANTIALLERGEN, ANTIASTHMATIC AND ANTICOAGULANT AGENTS; CARDIOVASCULAR DISORDERS TORAY INDUSTRIES, INC. (JP) 2002-06-18 US disclosed
US-6323235-B1 CARDIOVASCULAR DISORDERS, ANTIISCHEMIC AGENTS AND ENZYME INHIBITORS OHTAKE ATSUSHI (JP) 2001-11-27 US disclosed
US-6225115-B1 DNA encoding taurine and GABA transporters and uses thereof SYNAPTIC PHARMACEUTICAL CORPORATION 2001-05-01 US disclosed
US-5766848-A RECEPTOR BINDING ASSAY TO DETECT COMPOUND BOUND TO BETAINE/G-AMINOBUTYRIC ACID TRANSPORTER EXPRESSED ON SURFACE OF NONNEURONAL CELLS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1998-06-16 US disclosed
US-5767117-A BINDING OF AN AGONIST TO A 4-AMINOBUTYRIC ACID RECEPTOR AT THE BENZODIAZEPINE SITE THE GENERAL HOSPITAL CORPORATION (US) 1998-06-16 US disclosed
EP-0789567-A1 A METHOD FOR TREATING VASCULAR HEADACHES THE GENERAL HOSPITAL CORPORATION (US) 1997-08-20 EP disclosed
EP-0319986-B1 Anti-plasmin depressant NIPPON SHINYAKU CO LTD (JP) 1997-03-12 EP disclosed
EP-0751126-A1 BENZENE-FUSED HETEROCYCLIC DERIVATIVE AND USE OF THE SAME TORAY INDUSTRIES, INC. (JP) 1997-01-02 EP disclosed
WO-1996015782-A1 A METHOD FOR TREATING VASCULAR HEADACHES THE GENERAL HOSPITAL CORPORATION (US) 1996-05-30 WO disclosed
WO-1996004790-A1 DNA ENCODING A HUMAN BETAINE/GABA TRANSPORTER AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1996-02-22 WO disclosed
EP-0102034-A1 Spiro(2H-1,4-benzodioxepin-3(5H)4'-piperidine and 3'-pyrrolidino) compounds, a process for preparing the same and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1984-03-07 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 (1 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-20040266802-A1 Tricyclic analgesics OPRM1, OPRL1, OPRD1 MTNR1A 221/4885MTNR1B 205/4885CHRNB2 267/4885

“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.