SCHEMBL1681854

SCHEMBL1681854

O=C1Cc2cc(CBr)ccc2N1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 4/20 0.56
▸ MAOB P27338 3/20 0.51
▸ PDE3B Q13370 1/20 0.50
▸ PDE3A Q14432 1/20 0.50
▸ PDK2 Q15119 1/20 0.48
▸ SMYD3 Q9H7B4 1/20 0.48
▸ EPHX2 P34913 1/20 0.47
▸ CMA1 P23946 2/20 0.47
▸ PGR P06401 3/20 0.46
▸ GRIA1 P42261 2/20 0.46
▸ CACNG8 Q8WXS5 2/20 0.46
▸ HTR1A P08908 1/20 0.44
▸ DRD2 P14416 1/20 0.44
▸ ADRA1D P25100 1/20 0.44
▸ HTR2A P28223 1/20 0.44
▸ ADRA1A P35348 1/20 0.44
▸ ADRA1B P35368 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP11B1 P15538 1/20 0.44
▸ CYP11B2 P19099 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
SCHEMBL290258 0.86 AHR (0.61) AHRMAOBPDE3BPDE3APDK2
SCHEMBL8670836 0.85 AHR (0.59) AHRMAOBPDE3BPDE3APDK2
SCHEMBL14796816 0.84 MAOA (0.51) MAOBPDE3BPDE3AHTR1ADRD2
SCHEMBL9050921 0.82 AHR (0.49) AHRMAOBPDE3BPDE3APDK2
SCHEMBL24570672 0.82 AHR (0.61) AHRMAOBPDE3BPDE3APDK2
SCHEMBL260278 0.82 AHR (0.56) AHRMAOBPDE3BPDE3APDK2
SCHEMBL260951 0.82 AHR (0.56) AHRMAOBPDE3BPDE3APDK2
SCHEMBL22636513 0.82 AHR (0.56) AHRMAOBPDE3BPDE3APDK2
SCHEMBL9435130 0.82 AHR (0.56) AHRMAOBPDE3BPDE3APDK2
SCHEMBL578518 0.82 AHR (0.56) AHRMAOBPDE3BPDE3APDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3924160-A1 FORMULATIONS CAPABLE OF REACTING WITH OR REMOVAL OF MOLECULAR OXYGEN Finite Research Ltd (GB) 2021-12-22 — — EP disclosed
WO-2020154728-A1 FORMULATIONS CAPABLE OF REACTING WITH OR REMOVAL OF MOLECULAR OXYGEN LI SHENSHEN (US) 2020-07-30 — — WO disclosed
EP-2788336-A1 BENZOTHIAZOL- 6 -YL ACETIC ACID DERIVATIVES AND THEIR USE FOR TREATING AN HIV INFECTION Gilead Sciences, Inc. (US) 2014-10-15 — — EP disclosed
WO-2013159064-A1 BENZOTHIAZOL- 6 -YL ACETIC ACID DERIVATIVES AND THEIR USE FOR TREATING AN HIV INFECTION GILEAD SCIENCES, INC. (US) 2013-10-24 — — WO disclosed
US-8501778-B2 Aralkyl piperidine derivatives and their uses as antalgic or ataractic agent NHWA PHARMA. CORPORATION (CN) 2013-08-06 — — US disclosed
EP-2305645-B1 ARALKYL PIPERIDINE DERIVATIVES AND THEIR USES AS ANTALGIC OR ATARACTIC AGENT NHWA PHARMA CORP (CN) 2012-05-16 — — EP disclosed
US-20110105503-A1 ARALKYL PIPERIDINE DERIVATIVES AND THEIR USES AS ANTALGIC OR ATARACTIC AGENT NHWA PHARMA. CORPORATION (CN) 2011-05-05 — — US disclosed
EP-2305645-A1 ARALKYL PIPERIDINE DERIVATIVES AND THEIR USES AS ANTALGIC OR ATARACTIC AGENT NHWA Pharma.corporation (CN) 2011-04-06 — — EP disclosed
US-6133305-A PREVENTION AND TREATMENT OF PROTEIN KINASE RELATED DISORDERS SUCH AS CANCER SUGEN, INC. (US) 2000-10-17 — — US disclosed
WO-2000006556-A1 SUBSTITUTED OXAZOLINES AS ANTIPROLIFERATIVE AGENTS ABBOTT LABORATORIES (US) 2000-02-10 — — WO disclosed
WO-1994025453-A1 4-ARYL-4-HYDROXY-TETRAHYDROPYRANS AND 3-ARYL-3-HYDROXY-TETRAHYDROFURANS AS 5-LIPOXYGENASE INHIBITORS ZENECA LIMITED (GB) 1994-11-10 — — 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-20110105503-A1 ARALKYL PIPERIDINE DERIVATIVES AND THEIR USES AS ANTALGIC OR ATARACTIC AGENT ADK, AAK1, ATAD5 AHR 1227/4885MAOB 2693/4885PDE3B 2103/4885

“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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