SCHEMBL15566801

SCHEMBL15566801

O=C(O)C1CCN(CCc2ccc(Br)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.57
HTR2C P28335 2/20 0.55
HTR7 P34969 2/20 0.55
HTR6 P50406 2/20 0.55
POLB P06746 2/20 0.50
LTA4H P09960 1/20 0.50
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 1/20 0.49
THRB P10828 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
CCR5 P51681 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47
HIF1A Q16665 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
S1PR4 O95977 1/20 0.47

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
Fumaric Acid SCHEMBL15567315 0.93 HTR2A (0.51) HTR2AHTR2CHTR7HTR6POLB
SCHEMBL1519356 0.86 HTR2A (0.75) HTR2APOLBLTA4HSIGMAR1L3MBTL1
Lithium Ion SCHEMBL22470190 0.85 HTR2A (0.52) HTR2AHTR2CHTR7HTR6KDM4E
SCHEMBL22470212 0.85 HTR2A (0.52) HTR2AHTR2CHTR7HTR6KDM4E
SCHEMBL4227924 0.85 HTR2A (0.74) HTR2AHTR2CHTR7HTR6KDM4E
SCHEMBL8491424 0.85 HTR2A (0.57) HTR2AHTR2CHTR7HTR6POLB
SCHEMBL18117071 0.85 KCNH2 (0.59) HTR2AHTR2CHTR7HTR6LTA4H
SCHEMBL24770743 0.84 ALDH1A1 (0.65) POLBLTA4HKDM4EALDH1A1SIGMAR1
Hydrochloric Acid SCHEMBL1405913 0.84 HTR2A (0.73) HTR2APOLBLTA4HSIGMAR1
SCHEMBL22470373 0.83 ALDH1A1 (0.64) HTR2AHTR2CHTR7HTR6LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220151962-A1 NOVEL INHIBITORS OF HISTONE DEACETYLASE 10 DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2022-05-19 US disclosed
WO-2020193431-A1 NOVEL INHIBITORS OF HISTONE DEACETYLASE 10 DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2020-10-01 WO disclosed
WO-2014026657-A2 A PROCESS FOR THE PREPARATION OF A DERIVATIVE OF 2-METHYL-2'-PHENYLPROPIONIC ACID USING NEW INTERMEDIATES ZENTIVA, K.S (CZ) 2014-02-20 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-20220151962-A1 NOVEL INHIBITORS OF HISTONE DEACETYLASE 10 HDAC10, HDAC1, HDAC11 HTR2A 4528/4885HTR2C 4743/4885HTR7 4184/4885

“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.