SCHEMBL16367125

SCHEMBL16367125

O=C1OCCC2(CCN(Cl)C2)N1Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
OPRM1 P35372 2/20 0.36
OPRL1 P41146 1/20 0.36
SIGMAR1 Q99720 5/20 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
GAA P10253 1/20 0.35
NAAA Q02083 4/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
KCNH2 Q12809 1/20 0.35
LTC4S Q16873 1/20 0.35
MGLL Q99685 1/20 0.35

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
SCHEMBL15099396 0.87 OPRM1 (0.39) FAAHMEN1KMT2AOPRM1OPRL1
SCHEMBL15099421 0.76 KMT2A (0.40) FAAHMEN1KMT2ASIGMAR1NAAA
Hydrochloric Acid SCHEMBL15093833 0.75 KMT2A (0.39) FAAHMEN1KMT2ASIGMAR1NAAA
SCHEMBL6633133 0.72 SIGMAR1 (0.47) FAAHMEN1KMT2AOPRL1SIGMAR1
SCHEMBL4319672 0.67 OPRM1 (0.37) OPRM1OPRL1KCNH2AMPD2
SCHEMBL531434 0.66 GRM2 (0.52) FAAHMEN1KMT2ASIGMAR1NAAA
SCHEMBL4519506 0.64 GRM2 (0.51) FAAHMEN1KMT2ASIGMAR1NAAA
SCHEMBL9016265 0.63 GRM2 (0.56) FAAHMEN1KMT2ASIGMAR1NAAA
SCHEMBL6628811 0.63 SIGMAR1 (0.48) OPRM1SIGMAR1GAA
SCHEMBL15478093 0.62 HCRTR1 (0.51) MEN1KMT2ASIGMAR1GAAHCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170145032-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF THEIR USE SPINIFEX PHARMACEUTICALS PTY LTD (AU) 2017-05-25 US disclosed
US-9624243-B2 Heterocyclic compounds and methods of their use NOVARTIS AG (CH) 2017-04-18 US disclosed
US-20140378430-A1 Heterocyclic Compounds and Methods of Their Use SPINIFEX PHARMACEUTICALS PTY LTD (AU) 2014-12-25 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 (2 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-20140378430-A1 Heterocyclic Compounds and Methods of Their Use AGTR2, AGTR1, BDKRB2 FAAH 1119/4885MEN1 3729/4885KMT2A 2565/4885
US-20170145032-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF THEIR USE AGTR2, AGTR1, BDKRB2 FAAH 1119/4885MEN1 3729/4885KMT2A 2565/4885

“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.