SCHEMBL3482882

SCHEMBL3482882

Cc1cccc2c1C[CH]C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.36
CYP2A6 P11509 2/20 0.36
ACHE P22303 3/20 0.35
TSHR P16473 1/20 0.35
ALDH1A1 P00352 3/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PARP1 P09874 1/20 0.33
PARP10 Q53GL7 1/20 0.33
PARP11 Q9NR21 1/20 0.33
HTR5A P47898 2/20 0.32
NOTUM Q6P988 1/20 0.32
BCL2L1 Q07817 1/20 0.31
BAD Q92934 1/20 0.31
TRPA1 O75762 1/20 0.31
CD44 P16070 1/20 0.31

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
SCHEMBL11788924 0.81 CYP1A2 (0.36) CYP1A2CYP2A6ACHETSHRALDH1A1
SCHEMBL17288468 0.80 PARP1 (0.34) CYP1A2CYP2A6ACHETSHRALDH1A1
SCHEMBL3482902 0.73 CYP1A2 (0.33) CYP1A2ACHETSHR
SCHEMBL586483 0.71 ADRA2A (0.44) CYP1A2CYP2A6TSHRHTR5A
SCHEMBL1789200 0.71 DRD2 (0.41) HTR5ANOTUM
SCHEMBL3962200 0.71 BCL2L1 (0.50) TSHRALDH1A1CA1CA2HPGD
SCHEMBL1788633 0.71 DRD2 (0.46) CA1CA2CA7CA9
SCHEMBL11352084 0.70
SCHEMBL12043480 0.70 HTR5A (0.36) CYP1A2CYP2A6ACHEALDH1A1CA1
SCHEMBL12045032 0.70 HTR5A (0.36) CYP1A2CYP2A6ACHEALDH1A1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048893-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2010-02-25 US claimed
EP-2006271-A9 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2009-07-29 EP claimed
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-03-05 US claimed
US-20090054401-A1 Substituted bicyclic derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-02-26 US claimed
EP-2006271-A2 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2008-12-24 EP claimed
US-6642247-B2 Treting anxiety, stress, depression, trauma, Alzheimer's mediated memory loss, epilepsy, arterial blood pressure disorders, obesity, acute pain, chronic pain, Na+ excretion, control of water balance, and symptoms associated with drug HOFFMAN-LA ROCHE INC. 2003-11-04 US claimed
US-20030176701-A1 DI-OR TRIAZA-SPIRO [4,5] DECANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-09-18 US claimed
EP-0963985-B1 Di-or triaza-spiro(4,5)decane derivatives HOFFMANN LA ROCHE (CH) 2003-03-12 EP claimed
EP-0963985-A2 Di-or triaza-spiro(4,5)decane derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-12-15 EP claimed
CN-106659161-B Amide compound and its harmful arthropod prevent and kill off purposes 住友化学株式会社 2019-08-02 CN disclosed
US-10251396-B2 Amide compound and use of same for noxious arthropod control SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2019-04-09 US disclosed
EP-2952096-B1 Amide compound, an arthropod pest control agent and a method for controlling arthropod pest SUMITOMO CHEMICAL CO (JP) 2018-04-04 EP disclosed
US-9814235-B2 Method for controlling arthropod pest SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-11-14 US disclosed
US-20170295789-A1 AMIDE COMPOUND AND USE OF SAME FOR NOXIOUS ARTHROPOD CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-19 US disclosed
EP-1660427-A1 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2006-05-31 EP disclosed
WO-2005016862-A1 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORPORATION (JP) 2005-02-24 WO disclosed
US-6642247-B2 Treting anxiety, stress, depression, trauma, Alzheimer's mediated memory loss, epilepsy, arterial blood pressure disorders, obesity, acute pain, chronic pain, Na+ excretion, control of water balance, and symptoms associated with drug HOFFMAN-LA ROCHE INC. 2003-11-04 US disclosed
US-20030176701-A1 DI-OR TRIAZA-SPIRO [4,5] DECANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-09-18 US disclosed
EP-0963985-B1 Di-or triaza-spiro(4,5)decane derivatives HOFFMANN LA ROCHE (CH) 2003-03-12 EP disclosed
EP-0963985-A2 Di-or triaza-spiro(4,5)decane derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-12-15 EP 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 (6 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-20090054401-A1 Substituted bicyclic derivatives and use thereof LTB4R2, LTC4S, LTB4R CYP1A2 612/4885CYP2A6 720/4885ACHE 3542/4885
US-20030176701-A1 DI-OR TRIAZA-SPIRO [4,5] DECANE DERIVATIVES NPY4R, NPY1R, OXER1 CYP1A2 497/4885CYP2A6 109/4885ACHE 4678/4885
US-20170295789-A1 AMIDE COMPOUND AND USE OF SAME FOR NOXIOUS ARTHROPOD CONTROL OPRM1, TRPA1, L3MBTL3 CYP1A2 1172/4885CYP2A6 1673/4885ACHE 6/4885
US-20100048893-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 CYP1A2 486/4885CYP2A6 107/4885ACHE 3840/4885
US-10251396-B2 Amide compound and use of same for noxious arthropod control OPRM1, TRPA1, L3MBTL3 CYP1A2 1172/4885CYP2A6 1673/4885ACHE 6/4885
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 CYP1A2 486/4885CYP2A6 107/4885ACHE 3840/4885

“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.