SCHEMBL197239

SCHEMBL197239

Clc1cccc2c1CCC2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 4/20 0.59
ADRA2B P18089 3/20 0.59
ADRA2C P18825 3/20 0.59
ADRA1D P25100 2/20 0.59
ADRA1A P35348 2/20 0.59
ADRA1B P35368 2/20 0.59
CYP2D6 P10635 1/20 0.59
NPSR1 Q6W5P4 1/20 0.57
PNMT P11086 1/20 0.53
BCL2L1 Q07817 1/20 0.50
BAD Q92934 1/20 0.50
TSHR P16473 1/20 0.42
POLB P06746 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
GRIN1 Q05586 2/20 0.40
GRIN2A Q12879 2/20 0.40

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
SCHEMBL29760433 1.00 ADRA2A (0.59) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL29365985 0.95 ADRA2A (0.59) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL10328388 0.95 ADRA2A (0.59) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL31011759 0.93 ADRA2A (0.57) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL11247615 0.85
SCHEMBL18647408 0.81 BCL2L1 (0.42) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL11005863 0.81 CYP2A6 (0.47) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL12430508 0.80 ADRA2A (0.44) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL11005936 0.77 TSHR (0.44) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL29292684 0.77 PNMT (0.39) ADRA2AADRA2BADRA2CADRA1DADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0094146-B1 ANTIFUNGAL AZOLYL PHENYL SUBSTITUTED ALICYCLIC ALCOHOLS ZENECA LIMITED (GB) 1987-01-14 EP claimed
EP-0094146-A1 Antifungal azolyl phenyl substituted alicyclic alcohols ZENECA LIMITED (GB) 1983-11-16 EP claimed
US-20240101560-A1 NITROGENOUS HETEROAROMATIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES UDC IRELAND LIMITED (IE) 2024-03-28 US disclosed
EP-3423431-B1 CARBAMATE DERIVATIVE COMPOUNDS AND THEIR USES BIO PHARM SOLUTIONS CO LTD (KR) 2023-11-29 EP disclosed
CN-116649013-A Nitrogen-containing heteroaromatic compounds for organic electroluminescent devices 默克专利有限公司 2023-08-25 CN disclosed
US-11040954-B1 CXCR3 receptor agonists RECEPTOS LLC (US) 2021-06-22 US disclosed
US-10961396-B2 Methine dyes LANXESS DEUTSCHLAND GMBH (DE) 2021-03-30 US disclosed
US-20190345133-A1 CXCR3 RECEPTOR AGONISTS RECEPTOS LLC 2019-11-14 US disclosed
US-20190112485-A1 NOVEL METHINE DYES LANXESS DEUTSCHLAND GMBH (DE) 2019-04-18 US disclosed
CN-107835800-A cyclic compound 武田药品工业株式会社 2018-03-23 CN disclosed
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-08-03 US disclosed
EP-2172470-A1 BIPYRIDINE COMPOUND, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCTION OF CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX Sumitomo Chemical Company, Limited (JP) 2010-04-07 EP disclosed
WO-2008019124-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-02-14 WO disclosed
WO-2007092213-A2 INHIBITORS OF E1 ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-08-16 WO disclosed
EP-1660427-A4 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2006-12-20 EP 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
EP-0094146-B1 ANTIFUNGAL AZOLYL PHENYL SUBSTITUTED ALICYCLIC ALCOHOLS ZENECA LIMITED (GB) 1987-01-14 EP disclosed
US-4503062-A PLANT FUNGICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-03-05 US disclosed
EP-0094146-A1 Antifungal azolyl phenyl substituted alicyclic alcohols ZENECA LIMITED (GB) 1983-11-16 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-20190112485-A1 NOVEL METHINE DYES TET1, TET3, PRMT5 ADRA2A 3549/4885ADRA2B 3830/4885ADRA2C 3557/4885
US-10961396-B2 Methine dyes PNMT, TET1, PRMT5 ADRA2A 3228/4885ADRA2B 3637/4885ADRA2C 3045/4885
US-11040954-B1 CXCR3 receptor agonists CXCR3, CXCR1, CCR7 ADRA2A 154/4885ADRA2B 108/4885ADRA2C 258/4885
US-20190345133-A1 CXCR3 RECEPTOR AGONISTS CXCR3, CXCR1, CCR7 ADRA2A 154/4885ADRA2B 108/4885ADRA2C 258/4885
US-20240101560-A1 NITROGENOUS HETEROAROMATIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES NES, NCL, NPM1 ADRA2A 3325/4885ADRA2B 3742/4885ADRA2C 3019/4885
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA ADRA2A 1876/4885ADRA2B 2047/4885ADRA2C 1087/4885

“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.