SCHEMBL18212452

SCHEMBL18212452

C[C@@H](N)CN1CC(c2ccccc2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC18A3 Q16572 2/20 0.44
▸ GRIN2B Q13224 2/20 0.43
▸ DRD2 P14416 3/20 0.42
▸ DRD1 P21728 1/20 0.42
▸ DRD4 P21917 1/20 0.42
▸ DRD5 P21918 1/20 0.42
▸ DRD3 P35462 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ HRH1 P35367 1/20 0.42
▸ CCR5 P51681 1/20 0.40
▸ BRD4 O60885 3/20 0.40
▸ SLC6A2 P23975 2/20 0.39
▸ TAAR1 Q96RJ0 2/20 0.39
▸ MAOA P21397 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39
▸ CYP2A6 P11509 1/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ ADORA1 P30542 1/20 0.39

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
Hydrochloric Acid SCHEMBL18205143 0.98 SLC18A3 (0.43) SLC18A3GRIN2BDRD2DRD1DRD4
Hydrochloric Acid SCHEMBL18205142 0.98 SLC18A3 (0.43) SLC18A3GRIN2BDRD2DRD1DRD4
SCHEMBL18212456 0.85 SLC18A3 (0.46) SLC18A3GRIN2BDRD2DRD1DRD4
SCHEMBL28668669 0.75 SLC18A3 (0.45) SLC18A3
SCHEMBL28668671 0.75 SLC18A3 (0.45) SLC18A3
SCHEMBL19567291 0.74 DRD2 (0.53) SLC18A3DRD2DRD1DRD4DRD5
SCHEMBL18205240 0.74 HDAC4 (0.52) SLC18A3GRIN2B
SCHEMBL11932493 0.73 SIGMAR1 (0.45) SLC18A3DRD2DRD1DRD4DRD5
SCHEMBL12030746 0.72 HRH3 (0.50) DRD2DRD3CCR5BRD4
SCHEMBL23374659 0.71 SLC18A3 (0.56) SLC18A3DRD2DRD1DRD4DRD5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190202795-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION INC (US) 2019-07-04 — — US disclosed
WO-2016179554-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. (US) 2016-11-10 — — WO disclosed
US-20160326124-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2016-11-10 — — US disclosed
US-20160326124-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2016-11-10 — — 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-20190202795-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF HDAC1, HDAC7, HDAC5 SLC18A3 4635/4885GRIN2B 1615/4885DRD2 4869/4885
US-20160326124-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF HDAC1, HDAC7, HDAC5 SLC18A3 4635/4885GRIN2B 1615/4885DRD2 4869/4885

“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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