SCHEMBL2805938

SCHEMBL2805938

CO[C@@H]1Cc2ccccc2[C@@H]1N

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.43
HTR2A P28223 1/20 0.41
SIGMAR1 Q99720 2/20 0.40
OPRM1 P35372 2/20 0.37
OPRD1 P41143 2/20 0.37
OPRK1 P41145 2/20 0.37
IDO1 P14902 2/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
ANPEP P15144 1/20 0.36

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
SCHEMBL18761525 1.00 KDM1A (0.43) KDM1AHTR2ASIGMAR1OPRM1OPRD1
SCHEMBL30327609 1.00 KDM1A (0.43) KDM1AHTR2ASIGMAR1OPRM1OPRD1
SCHEMBL192387 1.00 KDM1A (0.43) KDM1AHTR2ASIGMAR1OPRM1OPRD1
SCHEMBL4199129 1.00 KDM1A (0.43) KDM1AHTR2ASIGMAR1OPRM1OPRD1
SCHEMBL191836 1.00 KDM1A (0.43) KDM1AHTR2ASIGMAR1OPRM1OPRD1
Hydrochloric Acid SCHEMBL25254960 0.98 KDM1A (0.46) KDM1AHTR2ASIGMAR1OPRM1OPRD1
Hydrochloric Acid SCHEMBL2807464 0.98 KDM1A (0.46) KDM1AHTR2ASIGMAR1OPRM1OPRD1
Hydrochloric Acid SCHEMBL2809120 0.98 KDM1A (0.46) KDM1AHTR2ASIGMAR1OPRM1OPRD1
SCHEMBL22457171 0.84 KDM1A (0.46) KDM1AHTR2ASIGMAR1IDO1GRIN2D
SCHEMBL783972 0.81 IDO1 (0.49) SIGMAR1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11873310-B2 Compounds useful in HIV therapy GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2024-01-16 US disclosed
US-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS INCYTE CORPORATION 2013-11-07 US disclosed
US-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS INCYTE CORPORATION 2013-11-07 US disclosed
US-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS INCYTE CORPORATION 2013-11-07 US disclosed
US-8481732-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-07-09 US disclosed
US-8481732-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-07-09 US disclosed
US-8481732-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-07-09 US disclosed
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS INCYTE CORPORATION (US) 2010-09-23 US disclosed
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS INCYTE CORPORATION (US) 2010-09-23 US disclosed
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS INCYTE CORPORATION (US) 2010-09-23 US disclosed
WO-2010108059-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AS ANTAGONISTS OF THE HISTAMINE H4 RECEPTOR INCYTE CORPORATION (US) 2010-09-23 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-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS HRH4, HRH2, HRH1 KDM1A 746/4885HTR2A 312/4885SIGMAR1 71/4885
US-11873310-B2 Compounds useful in HIV therapy CD4, CCR5, ABCB1 KDM1A 4469/4885HTR2A 4620/4885SIGMAR1 2713/4885
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS HRH4, HRH2, HRH1 KDM1A 1501/4885HTR2A 506/4885SIGMAR1 85/4885

“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.