SCHEMBL12877288

SCHEMBL12877288

COC(=O)NCCc1ccc(OC)c(OC)c1Br

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.44
MTNR1B P49286 2/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
TAAR1 Q96RJ0 1/20 0.44
HPGD P15428 1/20 0.42
ATM Q13315 1/20 0.42
LMNA P02545 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL14495000 0.89 MTNR1A (0.58) MTNR1AMTNR1BHSD17B10SMN1; SMN2
SCHEMBL14495036 0.88 NQO2 (0.45) MTNR1AMTNR1BALDH1A1KDM4ETAAR1
SCHEMBL12192721 0.83 PTGER1 (0.50) MTNR1AMTNR1BALDH1A1KDM4ETAAR1
SCHEMBL13727558 0.83 MTNR1A (0.44) MTNR1AMTNR1BALDH1A1KDM4ETAAR1
SCHEMBL153172 0.78 TAAR1 (0.54) MTNR1AMTNR1BALDH1A1KDM4ETAAR1
SCHEMBL17149982 0.76 ALDH1A1 (0.54) MTNR1AMTNR1BALDH1A1KDM4ETAAR1
SCHEMBL9186971 0.75 MTNR1A (0.63) MTNR1AMTNR1BALDH1A1KDM4ETAAR1
SCHEMBL14494995 0.74 MTNR1A (0.58) MTNR1AMTNR1BKDM4EHPGDHSD17B10
SCHEMBL149945 0.74 HSD17B10 (0.53) ALDH1A1KDM4ETAAR1HPGDATM
SCHEMBL11211183 0.74 AOC3 (0.41) KMT2A

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
US-8394789-B2 (Dihydro)pyrrolo[2,1-α]isoquinolines MSD OSS B.V. (NL) 2013-03-12 US disclosed
US-20110039832-A1 DIHYDRO)PYRROLO[2,1-A]ISOQUINOLINES N.V. ORGANON (NL) 2011-02-17 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-20110039832-A1 DIHYDRO)PYRROLO[2,1-A]ISOQUINOLINES PKD2, PKD1, CATSPER1 MTNR1A 2220/4885MTNR1B 1457/4885ALDH1A1 96/4885

“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.