SCHEMBL535050

SCHEMBL535050

O=C(NCC1CCNCC1)c1c2n(c3ccccc13)CCCO2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 18/20 1.00
CHRM2 P08172 1/20 0.64
ADRA2B P18089 1/20 0.64
HRH2 P25021 1/20 0.64
HTR1D P28221 1/20 0.64
HTR2A P28223 1/20 0.64
HRH1 P35367 1/20 0.64
HTR2B P41595 1/20 0.64
HTR3A P46098 1/20 0.64
SIGMAR1 Q99720 1/20 0.64

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
SCHEMBL8423110 0.88 HTR4 (0.79) HTR4CHRM2ADRA2BHRH2HTR1D
SCHEMBL7333331 0.86 HTR4 (0.82) HTR4CHRM2ADRA2BHRH2HTR1D
SCHEMBL7365338 0.85 HTR4 (0.82) HTR4CHRM2ADRA2BHRH2HTR1D
SCHEMBL7398429 0.84 HTR4 (0.88) HTR4
SCHEMBL7363818 0.84 HTR4 (0.78) HTR4CHRM2ADRA2BHRH2HTR1D
Oxalic Acid SCHEMBL7330235 0.82 HTR4 (0.85) HTR4
Piboserod SCHEMBL467339 0.82 HTR4 (1.00) HTR4CHRM2ADRA2BHRH2HTR1D
SCHEMBL6909544 0.82 HTR4 (1.00) HTR4CHRM2ADRA2BHRH2HTR1D
SCHEMBL7374980 0.82 HTR4 (0.78) HTR4CHRM2ADRA2BHRH2HTR1D
Piboserod SCHEMBL30234609 0.82 HTR4 (1.00) HTR4CHRM2ADRA2BHRH2HTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120094989-A1 5-HT RECEPTOR MODULATING COMPOUNDS SERODUS AS (NO) 2012-04-19 US disclosed
EP-2414331-A1 5-HT RECEPTOR MODULATING COMPOUNDS Serodus AS (NO) 2012-02-08 EP disclosed
US-7834010-B2 Modulators of peripheral 5-HT receptors SERODUS AS (NO) 2010-11-16 US disclosed
US-7834010-B2 Modulators of peripheral 5-HT receptors SERODUS AS (NO) 2010-11-16 US disclosed
WO-2010112865-A1 5-HT RECEPTOR MODULATING COMPOUNDS SERODUS AS (NO) 2010-10-07 WO disclosed
EP-1701951-B1 MODULATORS OF PERIPHERAL 5-HT RECEPTORS SERODUS AS (NO) 2010-02-10 EP disclosed
US-20090029979-A1 5-HTX MODULATORS BIO-MEDISINSK INNOVASJON AS (NO) 2009-01-29 US disclosed
US-20090029979-A1 5-HTX MODULATORS BIO-MEDISINSK INNOVASJON AS (NO) 2009-01-29 US disclosed
US-20070254874-A1 Modulators of Preripheral 5-Ht Receptors BIO-MEDISINSK INNOVASJON (NO) 2007-11-01 US disclosed
US-20070254874-A1 Modulators of Preripheral 5-Ht Receptors BIO-MEDISINSK INNOVASJON (NO) 2007-11-01 US disclosed
US-5998409-A GASTROINTESTINAL DISORDERS; CARDIOVASCULAR DISORDERS; NERVOUS SYSTEM DISORDERS SMITHKLINE BEECHAM PLC (GB) 1999-12-07 US disclosed
EP-0630376-B1 CONDENSED INDOLE DERIVATIVES AS 5-HT4-RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1999-06-02 EP disclosed
EP-0712406-B1 CONDENSED INDOLE DERIVATIVES AS 5-HT 4-RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1998-10-28 EP disclosed
US-5705498-A Piperidine derivatives as 5-HT4 receptor antagonists SMITHKLINE BEECHAM PLC. (GB) 1998-01-06 US disclosed
EP-0712406-A1 CONDENSED INDOLE DERIVATIVES AS 5-HT 4-RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-05-22 EP disclosed
EP-0667867-A1 PIPERIDINE DERIVATIVES AS 5-HT4 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-08-23 EP disclosed
WO-1995004737-A1 CONDENSED INDOLE DERIVATIVES AS 5-HT4-RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-02-16 WO disclosed
EP-0630376-A1 CONDENSED INDOLE DERIVATIVES AS 5HT 4?-RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-12-28 EP disclosed
WO-1994010174-A1 PIPERIDINE DERIVATIVES AS 5-HT4 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-05-11 WO disclosed
WO-1993018036-A1 CONDENSED INDOLE DERIVATIVES AS 5HT4-RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1993-09-16 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 (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-20090029979-A1 5-HTX MODULATORS HTR7, HTR5A, HTR2C HTR4 9/4885CHRM2 293/4885ADRA2B 62/4885
US-20070254874-A1 Modulators of Preripheral 5-Ht Receptors HTR4, HTR5A, HTR6 HTR4 1/4885CHRM2 163/4885ADRA2B 351/4885
US-20120094989-A1 5-HT RECEPTOR MODULATING COMPOUNDS HTR5A, HTR1A, HTR2A HTR4 9/4885CHRM2 417/4885ADRA2B 47/4885

“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.