SCHEMBL2875571

SCHEMBL2875571

COC(=O)CCn1ccc2ccc(N)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.48
MTNR1B P49286 6/20 0.48
KMO O15229 1/20 0.48
LMNA P02545 1/20 0.44
MCL1 Q07820 2/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
TNF P01375 1/20 0.40
HDAC8 Q9BY41 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39

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
SCHEMBL3355234 0.86 KDM4E (0.48) MTNR1AMTNR1BLMNASMN1; SMN2HSD17B10
SCHEMBL19149287 0.84 HTR7 (0.50) MTNR1AMTNR1BKMOLMNAMCL1
SCHEMBL31444669 0.83 KMO (0.48) MTNR1AMTNR1BKMOLMNAMCL1
Hydrochloric Acid SCHEMBL31444770 0.82 KMO (0.47) MTNR1AMTNR1BKMOLMNAMCL1
SCHEMBL2037341 0.80 LMNA (0.65) MTNR1AMTNR1BLMNAHTR2AHTR2C
SCHEMBL23631641 0.79 KDM4E (0.55) MTNR1AMTNR1BLMNASMN1; SMN2HSD17B10
SCHEMBL2872712 0.79 HTR7 (0.57) MTNR1AMTNR1BKMOLMNASMN1; SMN2
SCHEMBL19172460 0.78 MCL1 (0.58) MTNR1AMTNR1BMCL1
SCHEMBL27593266 0.78 MTNR1A (0.45) MTNR1AMTNR1BKMOMCL1HSD17B10
SCHEMBL29780573 0.77 KMO (0.44) KMOLMNAHTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492559-B2 Substituted indole compounds GRUENENTHAL GMBH (DE) 2013-07-23 US disclosed
US-8492559-B2 Substituted indole compounds GRUENENTHAL GMBH (DE) 2013-07-23 US disclosed
US-8492559-B2 Substituted indole compounds GRUENENTHAL GMBH (DE) 2013-07-23 US disclosed
EP-2393803-A1 SUBSTITUTED INDOLE COMPOUNDS AS BRADYKININ RECEPTOR 1 MODULATORS Grünenthal GmbH (DE) 2011-12-14 EP disclosed
US-20100222324-A1 Substituted Indole Compounds GRUENENTHAL GMBH (DE) 2010-09-02 US disclosed
US-20100222324-A1 Substituted Indole Compounds GRUENENTHAL GMBH (DE) 2010-09-02 US disclosed
US-20100222324-A1 Substituted Indole Compounds GRUENENTHAL GMBH (DE) 2010-09-02 US disclosed
WO-2010089084-A1 SUBSTITUTED INDOLE COMPOUNDS AS BRADYKININ RECEPTOR 1 MODULATORS Grünenthal GmbH (DE) 2010-08-12 WO disclosed
WO-2010089084-A1 SUBSTITUTED INDOLE COMPOUNDS AS BRADYKININ RECEPTOR 1 MODULATORS Grünenthal GmbH (DE) 2010-08-12 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 (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-20100222324-A1 Substituted Indole Compounds BDKRB1, BDKRB2, EDNRB MTNR1A 25/4885MTNR1B 6/4885KMO 452/4885

“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.