SCHEMBL15768993

SCHEMBL15768993

CCC1(C(=O)O)C(c2ccccc2)C1c1ccc(N)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.42
SLC9A1 P19634 1/20 0.38
SLC10A2 Q12908 1/20 0.37
KDM1A O60341 6/20 0.37
MAOA P21397 6/20 0.37
MAOB P27338 6/20 0.37
HDAC4 P56524 4/20 0.36
CYP2D6 P10635 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
SLC6A2 P23975 3/20 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
SCHEMBL12498386 1.00 SLC6A4 (0.42) SLC6A4SLC9A1SLC10A2KDM1AMAOA
SCHEMBL15768762 0.83 SLC6A4 (0.36) SLC6A4SLC9A1SLC10A2KDM1AMAOA
SCHEMBL12498953 0.83 SLC6A4 (0.36) SLC6A4SLC9A1SLC10A2KDM1AMAOA
SCHEMBL15768959 0.83 SLC9A1 (0.38) SLC6A4SLC9A1KDM1AMAOAMAOB
SCHEMBL12499506 0.83 SLC9A1 (0.38) SLC6A4SLC9A1KDM1AMAOAMAOB
SCHEMBL12498987 0.79 LMNA (0.49) ADORA3SMN1; SMN2
SCHEMBL12498121 0.78 MEN1 (0.48) MAOAMAOBHDAC4HTTGAA
SCHEMBL12498918 0.78 HDAC4 (0.42) SLC6A4SLC9A1KDM1AHDAC4CYP2D6
SCHEMBL15768564 0.78 MEN1 (0.48) MAOAMAOBHDAC4HTTGAA
SCHEMBL15768826 0.78 HDAC4 (0.44) SLC6A4SLC9A1HDAC4CYP2D6CYP1A2

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-9765054-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2017-09-19 US disclosed
US-20140163009-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI Foundation (US) 2014-06-12 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-20140163009-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF HDAC1, HDAC7, HDAC5 SLC6A4 4626/4885SLC9A1 2641/4885SLC10A2 1772/4885

“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.