SCHEMBL2540892

SCHEMBL2540892

NCCc1c[nH]c2ccc(Oc3cccnc3)cc12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 3/20 0.74
LTA4H P09960 3/20 0.62
PLA2G2A P14555 3/20 0.62
HTR1A P08908 11/20 0.60
HTR1B P28222 11/20 0.60
HTR1D P28221 10/20 0.60
MAPT P10636 3/20 0.60
CYP1A2 P05177 3/20 0.60
HTR6 P50406 2/20 0.60
HTR2A P28223 2/20 0.60
TSHR P16473 1/20 0.60
NFKB1 P19838 1/20 0.60
HTR2C P28335 1/20 0.60
HTR7 P34969 1/20 0.60
HTR4 Q13639 1/20 0.60
BLM P54132 1/20 0.59
PMP22 Q01453 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
KDM4E B2RXH2 2/20 0.56
CYP2C9 P11712 2/20 0.53

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 SCHEMBL8868912 0.99 TRPM8 (0.73) TRPM8LTA4HPLA2G2AHTR1AHTR1B
SCHEMBL2540054 0.85 TRPM8 (1.00) TRPM8LTA4HPLA2G2AHTR1AHTR1B
SCHEMBL8868834 0.84 HTR1D (0.64) TRPM8HTR1AHTR1BHTR1DCYP1A2
SCHEMBL8869386 0.82 TRPM8 (0.70) TRPM8LTA4HPLA2G2AHTR1AHTR1B
SCHEMBL8869671 0.81 TRPM8 (0.49) TRPM8HTR1AHTR1BHTR1DMAPT
SCHEMBL8868844 0.81 CSNK2A1 (0.51) TRPM8LTA4HPLA2G2ACYP1A2CYP2C9
SCHEMBL2537033 0.81 TRPM8 (0.76) TRPM8LTA4HPLA2G2AHTR1AHTR1B
Oxalic Acid SCHEMBL2539663 0.80 TRPM8 (0.88) TRPM8LTA4HPLA2G2AHTR1AHTR1B
SCHEMBL8869105 0.79 HTR1A (0.84) TRPM8LTA4HPLA2G2AHTR1AHTR1B
Oxalic Acid SCHEMBL8868845 0.79 KMT2A (0.68) TRPM8HTR1AHTR1BHTR1DCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0674619-A1 TRYPTAMINE ANALOGUES AS 5-HT 1?-LIKE AGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-10-04 EP claimed
WO-1994014770-A1 TRYPTAMINE ANALOGUES AS 5-HT1-LIKE AGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-07-07 WO claimed
EP-1859798-B1 N-(2-ARYLETHYL) BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR LILLY CO ELI (US) 2015-12-30 EP disclosed
US-8044090-B2 N-(2-arylethyl)benzylamines as antagonists of the 5-HT6 receptor ELI LILLY (US) 2011-10-25 US disclosed
US-20090306110-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR CHEN ZHAOGEN 2009-12-10 US disclosed
EP-1859798-A1 N-(2-ARYLETHYL) BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR ELI LILLY AND COMPANY (US) 2007-11-28 EP disclosed
EP-1379239-B1 N-(2-ARYLETHYL) BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR LILLY CO ELI (US) 2007-09-12 EP disclosed
US-20070099909-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR CHEN ZHAOGEN 2007-05-03 US disclosed
US-7157488-B2 N-(2-Arylethyl) benzylamines as antagonists of the 5-HT6 receptor ELI LILLY AND COMPANY (US) 2007-01-02 US disclosed
US-20060009511-A9 N-(2-arylethyl) benzylamines as antagonists of the 5-ht6 receptor CHEN ZHAOGEN 2006-01-12 US disclosed
CN-1610547-A N-(2-arylethyl)benzylamines as antagonists of the 5-HT6 receptor LILLY CO ELI (US) 2005-04-27 CN disclosed
US-5637593-A MIGRAINE; HYPOTENSIVE AGENTS SMITHKLINE BEECHAM PLC (GB) 1997-06-10 US disclosed
EP-0674619-A1 TRYPTAMINE ANALOGUES AS 5-HT 1?-LIKE AGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-10-04 EP disclosed
WO-1994014770-A1 TRYPTAMINE ANALOGUES AS 5-HT1-LIKE AGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-07-07 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-20060009511-A9 N-(2-arylethyl) benzylamines as antagonists of the 5-ht6 receptor HTR6, HTR2C, HTR1B TRPM8 511/4885LTA4H 820/4885PLA2G2A 1697/4885
US-20090306110-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B TRPM8 511/4885LTA4H 820/4885PLA2G2A 1697/4885
US-20070099909-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B TRPM8 511/4885LTA4H 820/4885PLA2G2A 1697/4885

“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.