SCHEMBL3056448

SCHEMBL3056448

COc1cc(C)c(S(=O)(=O)Nc2ccc3ccn(CCC(=O)NCCC4CCN(c5ccncc5)CC4)c3c2)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 5/20 0.41
▸ MTNR1B P49286 5/20 0.41
▸ POLB P06746 2/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ MAPK14 Q16539 1/20 0.37
▸ BDKRB1 P46663 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ F10 P00742 4/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ HTR6 P50406 1/20 0.35
▸ CHRM4 P08173 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
SCHEMBL3055485 0.85 BDKRB1 (0.38) POLBMEN1KMT2AMAPK14BDKRB1
SCHEMBL3059843 0.85 BDKRB1 (0.39) POLBMEN1KMT2ABDKRB1F10
SCHEMBL3042694 0.82 CYP2D6 (0.45) F10
SCHEMBL3052593 0.80 HTR6 (0.38) MAPK14BDKRB1F10HTR6
SCHEMBL3065820 0.78 BDKRB1 (0.39) POLBMEN1KMT2ABDKRB1MAPT
SCHEMBL3053633 0.77 KMO (0.46) MTNR1AMTNR1BMEN1KMT2AALDH1A1
SCHEMBL13139524 0.77 HTR6 (0.46) MTNR1AMTNR1BMEN1KMT2AALDH1A1
SCHEMBL3058131 0.76 BDKRB1 (0.38) MEN1KMT2ABDKRB1MAPTF10
SCHEMBL3062814 0.75 HTR6 (0.46) MTNR1AMTNR1BBDKRB1HTR6
SCHEMBL3050887 0.74 MTNR1A (0.40) MTNR1AMTNR1BPOLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222324-A1 Substituted Indole Compounds GRUENENTHAL GMBH (DE) 2010-09-02 — — US claimed

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 6/4885POLB 3754/4885

“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.

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