SCHEMBL6705803

SCHEMBL6705803

O=C(O)NCCc1ccc2c(c1)CCC2O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.38
GFRA3 O60609 1/20 0.38
RET P07949 1/20 0.38
GLA P06280 1/20 0.38
GRIN2B Q13224 4/20 0.38
GRIN1 Q05586 1/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
MEN1 O00255 1/20 0.38
EPHX1 P07099 1/20 0.38
KMT2A Q03164 1/20 0.38
TBXA2R P21731 1/20 0.37
PTGER2 P43116 1/20 0.37
ALPG P10696 1/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
PTGS1 P23219 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
SCHEMBL6705920 0.80 SIGMAR1 (0.40) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL4815840 0.77 ESR1 (0.41) GFRA3RETGRIN2BGRIN1MAPT
SCHEMBL11967054 0.76 HTR2C (0.43) GFRA3RET
SCHEMBL20564252 0.75 MAPK14 (0.47) MEN1KMT2ALMNAMAPTKDM4E
SCHEMBL20563412 0.73 NPC1 (0.56) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL5468373 0.72 SLC6A2 (0.48) LMNAKDM4EALDH1A1PTGS1HIF1A
SCHEMBL16256876 0.72 DRD2 (0.45) GFRA3RET
SCHEMBL13594790 0.72 SLC7A5 (0.50) KDM4EPTGS1HIF1AHSD17B10
SCHEMBL610795 0.72 PYGL (0.53) GFRA3RETMEN1KMT2AHPGD
SCHEMBL6704647 0.71 AKR1B1 (0.43) LMNAMAPTKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1678591-A Novel carboxamide compounds having MCH-antagonistic action, pharmaceutical preparations comprising said compounds and process for their preparation BOEHRINGER INGELHEIM INT (DE) 2005-10-05 CN disclosed
US-20040242572-A1 New carboxamide compounds having melanin concentrating hormone antagonistic activity, pharmaceutical preparations comprising these compounds and process for their manufacture BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-12-02 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 (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-20040242572-A1 New carboxamide compounds having melanin concentrating hormone antagonistic activity, pharmaceutical preparations comprising these compounds and process for their manufacture MCHR2, MCHR1, NPY1R TAAR1 141/4885GFRA3 475/4885RET 317/4885

“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.