SCHEMBL855229

SCHEMBL855229

CC1(c2cccc(Br)c2)OCCO1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 1/20 0.48
CHRNG P07510 1/20 0.48
CHRNB1 P11230 1/20 0.48
CHRNB2 P17787 1/20 0.48
SLC6A2 P23975 1/20 0.48
CHRNB4 P30926 1/20 0.48
SLC6A4 P31645 1/20 0.48
CHRNA3 P32297 1/20 0.48
CHRNA4 P43681 1/20 0.48
SLC6A3 Q01959 1/20 0.48
CHRND Q07001 1/20 0.48
TSHR P16473 2/20 0.41
HCAR3 P49019 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
LMNA P02545 3/20 0.40
MAPT P10636 3/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 4/20 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
SCHEMBL8551681 0.86 MAOB (0.43) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL992385 0.85 CHRNA1 (0.49) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL8551682 0.84 CHRNA1 (0.38) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL9046742 0.81 TDP2 (0.48) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL8344971 0.79 TSHR (0.35) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL3327547 0.79 CHRNA1 (0.47) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL3786132 0.78 SMN1; SMN2 (0.55) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL10627557 0.78 CYP2A6 (0.41) TSHRSMN1; SMN2LMNAMAPTGAA
SCHEMBL5339706 0.77 OPRD1 (0.49) TSHRSMN1; SMN2LMNAMAPTGAA
SCHEMBL12823209 0.77 TSHR (0.41) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2

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 75 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8674111-B2 Oxazole and thiazole derivatives as ALX receptor agonists ACTELION PHARMACEUTICALS LTD. (CH) 2014-03-18 US disclosed
EP-2440536-B1 Oxazole and thiazole derivatives as ALX receptor agonists ACTELION PHARMACEUTICALS LTD (CH) 2013-11-06 EP disclosed
US-8563714-B2 Bridged spiro [2.4] heptane derivatives as ALX receptor and/or FPRL2 agonists ACTELION PHARMACEUTICALS LTD. (CH) 2013-10-22 US disclosed
US-8536209-B2 Aminotriazole derivatives as ALX agonists ACTELION PHARMACEUTICALS LTD. (CH) 2013-09-17 US disclosed
EP-2242743-B1 AMINOPYRAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2013-08-21 EP disclosed
EP-2432760-B1 BRIDGED SPIRO [2.4] HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2013-07-17 EP disclosed
CN-101903353-B Aminopyrazole derivatives ACTELION PHARMACEUTICALS LTD 2013-04-10 CN disclosed
CN-102803237-A Oxazole and thiazole derivatives as alx receptor agonists ACTELION PHARMACEUTICALS LTD 2012-11-28 CN disclosed
US-8288419-B2 Aminopyrazole derivatives ACTELION PHARMACEUTICALS, LTD (CH) 2012-10-16 US disclosed
US-20120115916-A1 OXAZOLE AND THIAZOLE DERIVATIVES AS ALX RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2012-05-10 US disclosed
WO-1996036229-A1 FUNGICIDAL CYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1996-11-21 WO disclosed
EP-0337176-B1 Novel benzoic acid derivatives and process for preparing the same SHUDO KOICHI (JP) 1994-12-21 EP disclosed
EP-0411736-B1 11-Beta substituted 16-alpha, 17-alpha-methylene-estra-4,9-dien-3-one SCHERING AG (DE) 1994-05-04 EP disclosed
WO-1994008976-A1 FUNGICIDAL AND MITICIDAL AMINOPYRIMIDINES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1994-04-28 WO disclosed
US-5155249-A Differentiating neoplastic cells, treating psoriasis, immune or inflammatory diseases TAIHO PHARMACEUTICAL CO., LTD. (JP) 1992-10-13 US disclosed
US-5081271-A Differentiation-inducing agent for neoplastic cells; therapeutic agent for psoriasis or immune and inflammatory diseases TAIHO PHARMACEUTICAL CO., LTD. (JP) 1992-01-14 US disclosed
EP-0411736-A1 11-Beta substituted 16-alpha, 17-alpha-methylene-estra-4,9-dien-3-one SCHERING AKTIENGESELLSCHAFT (DE) 1991-02-06 EP disclosed
EP-0337176-A2 Novel benzoic acid derivatives and process for preparing the same Shudo, Koichi, Prof. Dr. (JP) 1989-10-18 EP disclosed
US-4004026-A Dicarboxylic acids and derivatives in the treatment of pain and inflammation CIBA-GEIGY CORPORATION (US) 1977-01-18 US disclosed
US-3940434-A ANTIINFLAMMATORY, ANALGESIC CIBA-GEIGY CORPORATION (US) 1976-02-24 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-20120115916-A1 OXAZOLE AND THIAZOLE DERIVATIVES AS ALX RECEPTOR AGONISTS P2RX1, GLP1R, P2RX7 CHRNA1 259/4885CHRNG 560/4885CHRNB1 683/4885

“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.