SCHEMBL2990802

SCHEMBL2990802

ClCc1ccc(CCc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.56
MAOA P21397 4/20 0.56
FFAR1 O14842 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
ALOX12 P18054 1/20 0.50
CASP1 P29466 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 2/20 0.48
HTR2A P28223 2/20 0.48
CYP2A6 P11509 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.48
KCNH2 Q12809 1/20 0.46
HDAC1 Q13547 2/20 0.43

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
SCHEMBL12531821 0.90 MAOB (0.60) MAOBMAOAALOX15HTR2AHDAC1
(Chloromethyl)Benzene SCHEMBL29794364 0.88
SCHEMBL21317609 0.88 CALM1 (0.53) MAOBALDH1A1HPGDALOX15ALOX12
(Chloromethyl)Benzene SCHEMBL6422666 0.88 CALM1 (0.53) MAOBALDH1A1HPGDALOX15ALOX12
SCHEMBL13658160 0.88 GFER (0.47) MAOBMAOAFFAR1TAAR1
(Chloromethyl)Benzene SCHEMBL29919724 0.88
(Chloromethyl)Benzene SCHEMBL1331085 0.88
(Chloromethyl)Benzene SCHEMBL1616642 0.88
(Chloromethyl)Benzene SCHEMBL7413 0.88
(Chloromethyl)Benzene SCHEMBL4746769 0.88 CALM1 (0.53) MAOBALDH1A1HPGDALOX15ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114945368-B N2-arylmethyl-4-haloalkyl-pyridazin-3-one compounds and uses thereof 香槟-阿尔登兰斯大学 2025-01-10 CN disclosed
CN-114945368-A N2-arylmethyl-4-haloalkyl-pyridazin-3-one compounds and uses thereof 香槟-阿尔登兰斯大学 2022-08-26 CN disclosed
WO-2021105641-A1 N2-ARYLMETHYL-4-HALOALKYL-PYRIDAZIN-3-ONE CFTR MODULATORS FOR THE TREATMENT OF CYSTIC FIBROSIS UNIVERSITE DE REIMS CHAMPAGNE-ARDENNE (FR) 2021-06-03 WO disclosed
US-10053428-B2 5-aminotetrahydroquinoline-2-carboxylic acids and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-08-21 US disclosed
EP-2840076-B1 BICYCLIC COMPOUND TOA EIYO LTD (JP) 2017-10-25 EP disclosed
US-20170260139-A1 NOVEL 5-AMINOTETRAHYDROQUINOLINE-2-CARBOXYLIC ACIDS AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-14 US disclosed
US-9688636-B2 5-aminotetrahydroquinoline-2-carboxylic acids and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-06-27 US disclosed
EP-2875003-B1 NEW 5-AMINOTETRAHYDROQUINOLINE-2-CARBOXYLIC ACIDS UND THEIR USE Bayer Pharma AG (DE) 2016-11-16 EP disclosed
CN-104245663-B Bicyclic compounds 东亚荣养株式会社 2016-10-26 CN disclosed
EP-2874993-B1 SUBSTITUTED AMINOINDANE- AND AMINOTETRALINECARBOXYLIC ACIDS AND USE THEREOF Bayer Pharma AG (DE) 2016-08-24 EP disclosed
WO-2005037807-A1 ARYLALKYL- AND CYCLOALKYLALKYL-PIPERAZINE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2005-04-28 WO disclosed
WO-2005037207-A2 ARYLALKYL-PIPERAZINE DERIVATIVES FOR THE TREATMENT OF CONDITIONS AMELIORATED BY MONOAMINE REUPTAKE INCLUDING VASOMOTOR SYMPTOMS (VMS) WYETH (US) 2005-04-28 WO disclosed
WO-2005037809-A1 SUBSTITUTED ARYL CYCLOALKANOL DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2005-04-28 WO disclosed
WO-2005037283-A1 FUSED-ARYL AND HETEROARYL DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2005-04-28 WO disclosed
WO-2005037279-A1 1- 2’ (1, 4’-BIPERIDIN-1’-YL)-1- (PHENYL) -ETHYL CYCLOHEXANOL DERIVATIVES AS MONOAMINE REUPTAKE MODULATORS FOR THE TREATMENT OF VISOMOTOR SYMPTOMS WYETH (US) 2005-04-28 WO disclosed
US-20040157894-A1 Thiol compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-08-12 US disclosed
US-6699881-B2 MATRIX METALLOPROTEASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-03-02 US disclosed
US-20030078253-A1 Thiol compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY, LIMITED (JP) 2003-04-24 US disclosed
US-6420415-B1 Thiol compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-16 US disclosed
EP-1132379-A1 NOVEL THIOL DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND UTILIZATION THEREOF Takeda Chemical Industries, Ltd. (JP) 2001-09-12 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 (4 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-20030078253-A1 Thiol compounds, their production and use TST, QSOX1, SULT1E1 MAOB 1846/4885MAOA 2043/4885FFAR1 2564/4885
US-10053428-B2 5-aminotetrahydroquinoline-2-carboxylic acids and their use TNNT2, TNNI3, FABP3 MAOB 714/4885MAOA 634/4885FFAR1 1097/4885
US-20040157894-A1 Thiol compounds, their production and use TST, SULT1E1, QSOX1 MAOB 1776/4885MAOA 2027/4885FFAR1 2702/4885
US-20170260139-A1 NOVEL 5-AMINOTETRAHYDROQUINOLINE-2-CARBOXYLIC ACIDS AND THEIR USE TNNT2, TNNI3, FABP3 MAOB 937/4885MAOA 834/4885FFAR1 777/4885

“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.