SCHEMBL81351

SCHEMBL81351

OCCCc1ccc2c(c1)CCC2

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRB P28702 4/20 0.42
GRIN2B Q13224 2/20 0.41
RXRA P19793 3/20 0.40
RXRG P48443 3/20 0.40
ALDH1A1 P00352 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
BCHE P06276 3/20 0.39
ADRA2A P08913 2/20 0.39
ACHE P22303 2/20 0.39
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
CA2 P00918 1/20 0.38
CETP P11597 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL16595947 0.98 GRIN2B (0.42) RXRBGRIN2BRXRARXRGALDH1A1
SCHEMBL9392878 0.91 BCHE (0.48) RXRBGRIN2BBCHEADRA2AACHE
SCHEMBL7998432 0.88 ALDH1A1 (0.47) RXRBRXRARXRGALDH1A1NPC1
SCHEMBL22369581 0.86 GRIN2B (0.44) GRIN2BBCHEACHECA2ALOX15
SCHEMBL8853672 0.86 ALDH1A1 (0.48) RXRBRXRARXRGALDH1A1NPC1
SCHEMBL9720050 0.81 TSHR (0.46) RXRBRXRARXRGALDH1A1NPC1
SCHEMBL23472586 0.81 MLNR (0.50) NPC1RAB9ACA2
SCHEMBL6348778 0.81 TPSAB1 (0.43) RXRBRXRARXRGADRA2AADRA2B
SCHEMBL81619 0.81 RXRB (0.39) RXRBGRIN2BRXRARXRGALDH1A1
SCHEMBL9110285 0.81 RXRB (0.42) RXRBGRIN2BRXRARXRGALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
CN-101730677-B Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORP 2014-07-16 CN disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
CN-101730677-A Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORP 2010-06-09 CN disclosed
EP-2168944-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 EP disclosed
EP-2168944-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 EP disclosed
US-4078066-A HYPOTENSIVE AGENTS, SURFACTANTS, BACTERICIDES AND WATER SOFTENERS E. R. SQUIBB & SONS, INC. (US) 1978-03-07 US disclosed
US-4033971-A HYPOTENSIVES, SURFACTANTS, BACTERICIDES, WATER SOFTENERS E. R. SQUIBB & SONS, INC. (US) 1977-07-05 US disclosed
US-3936465-A SURFACTANT, WATER SOFTENER, BACTERICIDE, HYPOTENSIVE E. R. SQUIBB & SONS, INC. (US) 1976-02-03 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-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF HLA-B, HLA-A, HLA-C RXRB 2681/4885GRIN2B 2034/4885RXRA 2753/4885

“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.