SCHEMBL116807

SCHEMBL116807

C[C@H](N)c1ccc(Br)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 1/20 0.56
▸ ALOX5 P09917 1/20 0.45
▸ PDE2A O00408 1/20 0.45
▸ MAOA P21397 1/20 0.45
▸ CYP2A6 P11509 1/20 0.44
▸ HTR2A P28223 1/20 0.43
▸ CYP1A2 P05177 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ PYCR1 P32322 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ DPP4 P27487 1/20 0.36

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
SCHEMBL352653 1.00 ADRB2 (0.56) ADRB2ALOX5PDE2AMAOACYP2A6
SCHEMBL256802 1.00 ADRB2 (0.56) ADRB2ALOX5PDE2AMAOACYP2A6
Hydrochloric Acid SCHEMBL9900692 0.97 ADRB2 (0.54) ADRB2ALOX5PDE2AMAOACYP2A6
Hydrochloric Acid SCHEMBL14977817 0.97 ADRB2 (0.54) ADRB2ALOX5PDE2AMAOACYP2A6
Iodide SCHEMBL29177617 0.97 ADRB2 (0.54) ADRB2ALOX5PDE2AMAOACYP2A6
Bromide SCHEMBL25277530 0.97 ADRB2 (0.54) ADRB2ALOX5PDE2AMAOACYP2A6
Hydrochloric Acid SCHEMBL2903958 0.97 ADRB2 (0.54) ADRB2ALOX5PDE2AMAOACYP2A6
Hexane SCHEMBL11623547 0.87 ADRB2 (0.45) ADRB2ALOX5PDE2AMAOAHTR2A
SCHEMBL1314596 0.85 ADRB2 (0.72) ADRB2PDE2AALDH1A1ALOX15
SCHEMBL12280986 0.79 ALOX5 (0.42) ADRB2ALOX5MAOACYP2A6HTR2A

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 1105 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120040438-A Isoxazole antiparasitic agents Synthesis method of medicine lotirana 华南农业大学 2025-05-27 — — CN claimed
WO-2025104679-A1 PROCESSES FOR MAKING INTERMEDIATES FOR ISOINDOLINONE INHIBITORS OF THE MDM2-P53 INTERACTION HAVING ANTICANCER ACTIVITY OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2025-05-22 — — WO claimed
CN-118946165-A Interface interaction spin-photon conversion body heterostructure and preparation method 武汉大学 2024-11-12 — — CN claimed
CN-118922037-A Chiral photoelectric functional material with wide band gap and preparation method thereof 武汉大学 2024-11-08 — — CN claimed
CN-118745344-A Perovskite circular polarization luminescent material with chiral low-dimensional-three-dimensional heterojunction structure and application thereof 武汉大学 2024-10-08 — — CN claimed
US-12104106-B2 Compositions of chiral molecules and perovskite nanocrystals and methods of making the same ALLIANCE FOR SUSTAINABLE ENERGY, LLC (US) 2024-10-01 — — US claimed
CN-118125984-A Benzenesulfonamide compound and preparation method and application thereof 中国药科大学 2024-06-04 — — CN claimed
US-11760750-B1 Process for preparing levoketoconazole NURAY CHEMICALS PRIVATE LIMITED (IN) 2023-09-19 — — US claimed
CN-114958368-B Two-dimensional chiral organic-inorganic hybrid perovskite crystal and preparation method and application thereof 闽都创新实验室 2023-08-01 — — CN claimed
US-20220326082-A1 CHIRAL HETEROSTRUCTURES Alliance for Energy Innovation, LLC 2022-10-13 — — US claimed
EP-2385983-A2 TRANSAMINASE POLYPEPTIDES Codexis, Inc. (US) 2011-11-16 — — EP claimed
US-D646886-S1 Tip of an umbrella Pro Performance Sports, L.L.C. (US) 2011-10-18 — — US claimed
US-20100209981-A1 TRANSAMINASE POLYPEPTIDES CODEXIS, INC. (US) 2010-08-19 — — US claimed
WO-2010081053-A2 TRANSAMINASE POLYPEPTIDES CODEXIS, INC. (US) 2010-07-15 — — WO claimed
US-20090281176-A1 PROCESS FOR THE SYNTHESIS OF RAMELTEON AND ITS INTERMEDIATES TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-11-12 — — US claimed
EP-2098519-A1 Process for the synthesis of ramelteon and its intermediates Teva Pharmaceutical Industries Ltd. (IL) 2009-09-09 — — EP claimed
US-20090069581-A1 PROCESS FOR THE SYNTHESIS OF RAMELTEON AND ITS INTERMEDIATES TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-03-12 — — US claimed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 — — EP claimed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 — — EP claimed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 — — WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20090281176-A1 PROCESS FOR THE SYNTHESIS OF RAMELTEON AND ITS INTERMEDIATES CYP2B6, UGT1A6, CYP2A6 ADRB2 1490/4885ALOX5 717/4885PDE2A 2285/4885
US-20090069581-A1 PROCESS FOR THE SYNTHESIS OF RAMELTEON AND ITS INTERMEDIATES CYP2B6, UGT1A6, CYP2A6 ADRB2 1661/4885ALOX5 1639/4885PDE2A 3676/4885
US-11760750-B1 Process for preparing levoketoconazole KHK, KYAT3, PLK3 ADRB2 1631/4885ALOX5 1572/4885PDE2A 1916/4885

“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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