SCHEMBL18361283

SCHEMBL18361283

O=C(O)c1ccc(NC2CCN(CC3CC3)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 4/20 0.58
▸ SIGMAR1 Q99720 3/20 0.47
▸ DRD2 P14416 2/20 0.47
▸ HTR2A P28223 2/20 0.47
▸ HTR2C P28335 2/20 0.47
▸ HTR2B P41595 2/20 0.47
▸ HRH3 Q9Y5N1 1/20 0.45
▸ KDM1A O60341 1/20 0.45
▸ EPHX2 P34913 1/20 0.44
▸ CCR1 P32246 1/20 0.44

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
SCHEMBL20592123 0.90 LTA4H (0.52) LTA4HCCR1
SCHEMBL24050339 0.82 CARM1 (0.60) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL20592122 0.81 SMN1; SMN2 (0.47) LTA4HSIGMAR1CCR1
SCHEMBL21064084 0.81 LTA4H (0.56) LTA4HKDM1AEPHX2
SCHEMBL4229314 0.81 LTA4H (0.80) LTA4HSIGMAR1DRD2KDM1A
Hydrochloric Acid SCHEMBL20592194 0.80 LTA4H (0.55) LTA4HKDM1AEPHX2
SCHEMBL18361352 0.80 LTA4H (0.55) LTA4HEPHX2
SCHEMBL1542507 0.79 HCAR3 (0.58) LTA4H
SCHEMBL14980367 0.79 POLB (0.61) LTA4HEPHX2
SCHEMBL15305255 0.79 TRPA1 (0.59) SIGMAR1DRD2HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210009519-A1 HISTONE DEACETYLASE INHIBITORS BIOMARIN PHARMACEUTICAL INC. 2021-01-14 — — US disclosed
US-10851058-B2 Histone deacetylase inhibitors BIOMARIN PHARMACEUTICAL INC. (US) 2020-12-01 — — US disclosed
US-10308608-B2 Histone deacetylase inhibitors BIOMARIN PHARMACEUTICAL INC. (US) 2019-06-04 — — US disclosed
US-20180370915-A1 HISTONE DEACETYLASE INHIBITORS BIOMARIN PHARMACEUTICAL INC. 2018-12-27 — — US disclosed
WO-2017004522-A1 HISTONE DEACETYLASE INHIBTORS BIOMARIN PHARMACEUTICAL INC. (US) 2017-01-05 — — 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 (4 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-10851058-B2 Histone deacetylase inhibitors HDAC1, HDAC2, HDAC3 LTA4H 2846/4885SIGMAR1 4438/4885DRD2 3565/4885
US-20210009519-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC2, HDAC3 LTA4H 2846/4885SIGMAR1 4438/4885DRD2 3565/4885
US-20180370915-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC2, HDAC3 LTA4H 2846/4885SIGMAR1 4438/4885DRD2 3565/4885
US-10308608-B2 Histone deacetylase inhibitors HDAC1, HDAC2, HDAC3 LTA4H 2846/4885SIGMAR1 4438/4885DRD2 3565/4885

“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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