SCHEMBL17517481

SCHEMBL17517481

CN1CCc2c(n(CCCCCCCCCn3c4c(c5ccccc53)CCN(C)C4)c3ccccc23)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.79
MAOB P27338 5/20 0.79
HDAC6 Q9UBN7 5/20 0.74
HDAC1 Q13547 4/20 0.74
HDAC3 O15379 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
NCOR2 Q9Y618 1/20 0.56
CHRM2 P08172 2/20 0.56
HTR1A P08908 2/20 0.56
ADRA2A P08913 2/20 0.56
SLC6A2 P23975 2/20 0.56
ADRA1A P35348 2/20 0.56
DRD3 P35462 2/20 0.56
KCNH2 Q12809 2/20 0.56
CHRM1 P11229 1/20 0.56
DRD1 P21728 1/20 0.56
SLC6A4 P31645 1/20 0.56
OPRM1 P35372 1/20 0.56

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
SCHEMBL20340631 0.92 MAOA (0.67) MAOAMAOBHDAC6HDAC1HDAC3
SCHEMBL12938917 0.89 HDAC6 (0.78) MAOAMAOBHDAC6HDAC1HDAC3
SCHEMBL1080466 0.86 HDAC6 (1.00) MAOAMAOBHDAC6HDAC1HDAC3
SCHEMBL12938807 0.86 HDAC6 (0.84) MAOAMAOBHDAC6HDAC1HDAC3
SCHEMBL12938916 0.85 HDAC6 (0.72) MAOAMAOBHDAC6HDAC1HDAC3
SCHEMBL1002965 0.84 HDAC6 (0.71) MAOAMAOBHDAC6HDAC1HDAC3
SCHEMBL19970051 0.83 CHRM2 (0.80) MAOAMAOBHDAC6HDAC1HDAC3
SCHEMBL13944387 0.81 KDM4E (0.65) MAOAMAOBHDAC6HDAC1HDAC3
SCHEMBL20960970 0.80 HDAC6 (0.69) MAOAMAOBHDAC6HDAC1HDAC3
SCHEMBL8803935 0.80 CYP1A2 (0.73) MAOAMAOBHDAC6HDAC1HDAC3

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-10011614-B2 Bis-β-carboline compound and preparation method, pharmaceutical composition and use thereof XINJIANG HUASHIDAN PHARMACEUTICAL RESEARCH CO., LTD (CN) 2018-07-03 US disclosed
US-20160039845-A1 BIS-B-CARBOLINE COMPOUND AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF XINJIANG HUASHIDAN PHARMACEUTICAL RESEARCH CO., LTD (CN) 2016-02-11 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-20160039845-A1 BIS-B-CARBOLINE COMPOUND AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF BRCA1, CA7, DCK MAOA 3499/4885MAOB 1253/4885HDAC6 1023/4885
US-10011614-B2 Bis-β-carboline compound and preparation method, pharmaceutical composition and use thereof BRCA1, CA7, DCK MAOA 3791/4885MAOB 2309/4885HDAC6 1015/4885

“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.