SCHEMBL23144

SCHEMBL23144

N#CCOc1c[c]ccc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.36
FFAR1 O14842 1/20 0.35
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
ALDH2 P05091 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
SYK P43405 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
SCHEMBL922668 0.82 GSTP1 (0.43) HSD17B10
SCHEMBL21052761 0.80 CTSA (0.38) SMN1; SMN2FFAR1KDM4EALDH1A1ALDH2
SCHEMBL3222353 0.79 KCNA3 (0.38) GAAL3MBTL1
SCHEMBL921394 0.79 ADAM17 (0.39)
SCHEMBL9157543 0.79 KCNH2 (0.36)
SCHEMBL4780221 0.79 KCNH2 (0.33)
SCHEMBL5704638 0.79 KCNA3 (0.42) SMN1; SMN2KDM4EALDH1A1
SCHEMBL920727 0.78 MTNR1A (0.39) KDM4EALDH1A1HSD17B10
SCHEMBL30753819 0.76 KCNA3 (0.50) SMN1; SMN2FFAR1ALDH1A1
SCHEMBL30753820 0.76 KCNA3 (0.50) SMN1; SMN2FFAR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3241829-B1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2020-12-23 EP claimed
US-20170001998-A1 SUBSTITUTED HETEROCYCLIC ACETAMIDES AS KAPPA OPIOID RECEPTOR (KOR) AGONISTS DR. REDDY'S LABORATORIES, LTD. (IN) 2017-01-05 US claimed
CN-103180317-B Heteroarylpiperidine and piperazine derivatives as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-03-23 CN claimed
US-9139546-B2 Tri-aryl/heteroaromatic cannabinoids and use thereof THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2015-09-22 US claimed
US-9006266-B2 Heteroarylpiperidine and -piperazine derivatives as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-14 US claimed
US-20110207748-A1 Tri-Aryl/Heteroaromatic Cannabinoids and Use Thereof THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2011-08-25 US claimed
US-7888365-B2 Tri-aryl/heteroaromatic cannabinoids and use thereof THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2011-02-15 US claimed
EP-2131655-A2 TRI-ARYL/HETEROAROMATIC CANNABINOIDS AND USE THEREOF The University of Tennessee Research Foundation (US) 2009-12-16 EP claimed
US-20080234293-A1 Tri-aryl/heteroaromatic cannabinoids and use thereof THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2008-09-25 US claimed
WO-2008109027-A2 TRI-ARYL/HETEROAROAROMATIC CANNABINOIDS AND USE THEREOF UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION, THE (US) 2008-09-12 WO claimed
EP-0777645-A1 OXIME ETHERS AND THEIR USE AS PESTICIDES Novartis AG (CH) 1997-06-11 EP claimed
EP-0621864-B1 2-(2-BENZO(b)THIENYL)-3-METHOXYACRYLATE AND -2-IMINOACETATE DERIVATIVES TO BE USED AS PESTICIDES CIBA GEIGY AG (CH) 1996-12-27 EP claimed
WO-1996006072-A1 OXIME ETHERS AND THEIR USE AS PESTICIDES CIBA-GEIGY AG (CH) 1996-02-29 WO claimed
EP-0651737-A1 O-BENZYL OXIME ETHER DERIVATIVES AND THEIR USE AS PESTICIDES Novartis AG (CH) 1995-05-10 EP claimed
WO-1994026700-A1 O-BENZYL OXIME ETHER DERIVATIVES AND THEIR USE AS PESTICIDES CIBA-GEIGY AG (CH) 1994-11-24 WO claimed
EP-0621864-A1 2-(2-BENZO(b)THIENYL)-3-METHOXYACRYLATE AND -2-IMINOACETATE DERIVATIVES TO BE USED AS PESTICIDES. CIBA GEIGY AG (CH) 1994-11-02 EP claimed
EP-0375404-B1 Heterocyclic derivatives ICI PLC (GB) 1994-02-09 EP claimed
WO-1993008183-A1 2-(2-BENZO(b)THIENYL)-3-METHOXYACRYLATE AND -2-IMINOACETATE DERIVATIVES TO BE USED AS PESTICIDES CIBA-GEIGY AG (CH) 1993-04-29 WO claimed
US-5098930-A Inhibitors of lipoxygenase for treatment of diseases mediated with leukotrienes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-03-24 US claimed
EP-0375404-A2 Heterocyclic derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-06-27 EP 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-20170001998-A1 SUBSTITUTED HETEROCYCLIC ACETAMIDES AS KAPPA OPIOID RECEPTOR (KOR) AGONISTS OPRK1, OPRL1, OPRD1 SMN1; SMN2 1107/4885FFAR1 134/4885KDM4E 1674/4885
US-20080234293-A1 Tri-aryl/heteroaromatic cannabinoids and use thereof CNR1, CNR2, OPRM1 SMN1; SMN2 4721/4885FFAR1 168/4885KDM4E 1931/4885
US-20110207748-A1 Tri-Aryl/Heteroaromatic Cannabinoids and Use Thereof CNR1, CNR2, OPRM1 SMN1; SMN2 4721/4885FFAR1 168/4885KDM4E 1931/4885

“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.