SCHEMBL1705439

SCHEMBL1705439

[NH]C1CCCc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.53
TSHR P16473 1/20 0.44
ADRA2A P08913 2/20 0.44
ADRA1A P35348 2/20 0.44
CYP2D6 P10635 2/20 0.44
LMNA P02545 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1B P35368 1/20 0.44
HTR1A P08908 1/20 0.44
OPRM1 P35372 1/20 0.44
HTT P42858 1/20 0.44
CHRNA7 P36544 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
BLM P54132 1/20 0.42
KMT2A Q03164 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
PDPK1 O15530 1/20 0.42

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
SCHEMBL1735423 1.00 IDO1 (0.53) IDO1TSHRADRA2AADRA1ACYP2D6
SCHEMBL1735441 1.00 IDO1 (0.53) IDO1TSHRADRA2AADRA1ACYP2D6
SCHEMBL2777539 0.86 IDO1 (0.50) IDO1PDPK1
SCHEMBL2777830 0.86 IDO1 (0.50) IDO1PDPK1
SCHEMBL42663 0.86 IDO1 (0.50) IDO1PDPK1
SCHEMBL29357487 0.77 IDO1 (0.57) IDO1TSHRADRA2AADRA1ACYP2D6
SCHEMBL145977 0.77 IDO1 (0.57) IDO1TSHRADRA2AADRA1ACYP2D6
SCHEMBL13082165 0.76 IDO1 (0.55) IDO1TSHRADRA2AADRA1ACYP2D6
SCHEMBL4248158 0.74 IDO1 (0.53) IDO1TSHRADRA2AADRA1ACYP2D6
SCHEMBL10729425 0.74 IDO1 (0.53) IDO1TSHRADRA2AADRA1ACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240199542-A1 SUBSTITUTED PYRROLIDIN-2-ONES, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2024-06-20 US claimed
EP-1960369-B1 INDANYL-AND TETRAHYDRONAPHTHYL-AMINO-AZOLINE COMPOUNDS FOR COMBATING ANIMAL PESTS BASF SE (DE) 2012-01-11 EP claimed
US-20100016274-A1 BETA-LACTAM CANNABINOID RECEPTOR MODULATORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-01-21 US claimed
EP-1874748-B1 2 -AMINOCARBONYL SUBSTITUTED PIPERAZINE OR DIAZA-CYCLIC COMPOUNDS AS APOPTOSIS PROTEIN INHIBITOR (IAP) MODULATORS NOVARTIS AG (CH) 2009-08-12 EP claimed
EP-1960369-A1 INDANYL-AND TETRAHYDRONAPHTHYL-AMINO-AZOLINE COMPOUNDS FOR COMBATING ANIMAL PESTS BASF SE (DE) 2008-08-27 EP claimed
WO-2007060121-A1 INDANYL-AND TETRAHYDRONAPHTHYL-AMINO-AZOLINE COMPOUNDS FOR COMBATING ANIMAL PESTS BASF SE (DE) 2007-05-31 WO claimed
US-7098215-B2 Nitrogenous compounds and antiviral drugs containing the same KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) 2006-08-29 US claimed
US-20060074105-A1 Substituted quinoline and quinazoline inhibitors of quinone reductase 2 SERENEX, INC. (US) 2006-04-06 US claimed
US-20020058788-A1 Facile deprotection of Fmoc protected amino groups DISCOVERY PARTNERS INTERNATIONAL, INC. 2002-05-16 US claimed
EP-1200395-A1 UREA DERIVATIVES AS INHIBITORS OF CCR-3 RECEPTOR KIRIN BEER KABUSHIKI KAISHA (JP) 2002-05-02 EP claimed
WO-2001009088-A1 UREA DERIVATIVES AS INHIBITORS OF CCR-3 RECEPTOR KIRIN BEER KABUSHIKI KAISHA (JP) 2001-02-08 WO claimed
WO-2001002355-A2 INDOLE SYNTHESIS AXYS PHARMACEUTICALS, INC. (US) 2001-01-11 WO claimed
US-20240199542-A1 SUBSTITUTED PYRROLIDIN-2-ONES, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2024-06-20 US disclosed
CN-117986281-A Boron-containing condensed ring aromatic compound and preparation method and application thereof 深圳大学 2024-05-07 CN disclosed
WO-2022268520-A1 USE OF SUBSTITUTED PYRROLIDINONES OR THEIR SALTS FOR INCREASING STRESS TOLERANCE OF PLANTS BAYER AKTIENGESELLSCHAFT (DE) 2022-12-29 WO disclosed
CN-108697714-B Fused pyrimidine compound or salt thereof 大鹏药品工业株式会社 2022-04-26 CN disclosed
US-20020058788-A1 Facile deprotection of Fmoc protected amino groups DISCOVERY PARTNERS INTERNATIONAL, INC. 2002-05-16 US disclosed
EP-0808303-B1 5-(4-SUBST.-PIPERIDINYL-1)-3-ARYL-PENTANOIC ACID DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONIST ASTRAZENECA AB (SE) 2001-06-20 EP disclosed
EP-0808303-A1 5-(4-SUBST.-PIPERIDINYL-1)-3-ARYL-PENTANOIC ACID DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONIST ZENECA LIMITED (GB) 1997-11-26 EP disclosed
WO-1996024582-A1 5-(4-SUBST.-PIPERIDINYL-1)-3-ARYL-PENTANOIC ACID DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONIST ZENECA LIMITED (GB) 1996-08-15 WO 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-20060074105-A1 Substituted quinoline and quinazoline inhibitors of quinone reductase 2 NQO2, QTRT1, QTRT2 IDO1 136/4885TSHR 3791/4885ADRA2A 2556/4885
US-20020058788-A1 Facile deprotection of Fmoc protected amino groups DNPEP, LNPEP, NPEPPS IDO1 560/4885TSHR 1626/4885ADRA2A 4540/4885
US-20100016274-A1 BETA-LACTAM CANNABINOID RECEPTOR MODULATORS CNR2, CNR1, FAAH2 IDO1 1086/4885TSHR 1587/4885ADRA2A 15/4885
US-20240199542-A1 SUBSTITUTED PYRROLIDIN-2-ONES, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES HPD, DDT, PPOX IDO1 274/4885TSHR 1754/4885ADRA2A 3996/4885

“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.