Sugi Predict

Sugi Predict / Compounds / SCHEMBL7775077

SCHEMBL7775077

SCHEMBL7775077

CCCC(C)NCC(C)C

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 8/20 0.35
▸ TSHR P16473 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ ADH1B P00325 1/20 0.31
▸ ADH1C P00326 1/20 0.31
▸ ADH1A P07327 1/20 0.31
▸ CA12 O43570 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA9 Q16790 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
SCHEMBL19663770 1.00 ADRB2 (0.35) ADRB2TSHRSMN1; SMN2CYP2D6ADH1B
SCHEMBL20016418 0.84 ADRB2 (0.49) ADRB2TSHRADH1BADH1CADH1A
SCHEMBL17088072 0.84 ADRB2 (0.49) ADRB2TSHRADH1BADH1CADH1A
SCHEMBL23240923 0.81 TSHR (0.42) ADRB2TSHRSMN1; SMN2CYP2D6
SCHEMBL24379840 0.80 ADH1B (0.50) ADRB2TSHRADH1BADH1CADH1A
SCHEMBL13855541 0.79 ADRB2 (0.41) ADRB2TSHR
SCHEMBL23060034 0.79 ALDH1A1 (0.39) ADRB2TSHR
SCHEMBL13999372 0.79 TSHR (0.35) ADRB2TSHR
SCHEMBL16937600 0.79 ALDH1A1 (0.39) ADRB2TSHR
SCHEMBL13180029 0.79 ALDH1A1 (0.39) ADRB2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3204360-B1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2020-08-26 — — EP disclosed
WO-2020035027-A1 LINKER, ANTIBODY-DRUG CONJUGATE INCLUDING SAME, AND USE THEREOF 中国人民解放军军事科学院军事医学研究院 2020-02-20 — — WO disclosed
EP-2740732-B1 MTOR kinase inhibitors for oncology indications and diseases associated with the MTOR/P13K/AKT pathway SIGNAL PHARM LLC (US) 2017-05-17 — — EP disclosed
US-8334382-B2 Substituted biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION (US) 2012-12-18 — — US disclosed
US-20120208829-A1 2-PHENOXY PYRIMIDINONE ANALOGUES NEUROGEN CORPORATION (US) 2012-08-16 — — US disclosed
US-20110082130-A1 PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES LIGAND PHARMACEUTICALS, INC. (US) 2011-04-07 — — US disclosed
US-20110002855-A1 PIPERAZINYL OXOALKYL TETRAHYDRO-BETA-CARBOLINES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2011-01-06 — — US disclosed
US-20110003813-A1 SUBSTITUTED BIARYL PIPERAZINYL-PYRIDINE ANALOGUES NEUROGEN CORPORATION 2011-01-06 — — US disclosed
US-7795262-B2 Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues NEUROGEN CORPORATION (US) 2010-09-14 — — US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 — — US disclosed
US-20070197559-A1 Aryl substituted purine analogues NEUROGEN CORPORATION 2007-08-23 — — US disclosed
US-20070191363-A1 Heteroalkyl-substituted biphenyl-4-carboxylic acid arylamide analogues NEUROGEN CORPORATION (US) 2007-08-16 — — US disclosed
US-7253168-B2 Substituted 1-benzyl-4-substituted piperazine analogues NEUROGEN CORPORATION (US) 2007-08-07 — — US disclosed
US-20070161637-A1 Substituted pyridin-2-ylamine analogues NEUROGEN CORPORATION (US) 2007-07-12 — — US disclosed
US-20070105865-A1 Substituted bicyclic quinazolin-4-ylamine derivatives NEUROGEN CORPORATION (US) 2007-05-10 — — US disclosed
US-20070078135-A1 Substituted heteroaryl CB1 antagonists NEUROGEN CORPORATION (US) 2007-04-05 — — US disclosed
EP-0838508-B1 Aqueous ink composition for use in an ink-jet printer SEIKO EPSON CORP (JP) 2001-08-29 — — EP disclosed
US-5871572-A COLORANT, WATER, A WATER-SOLUBLE ORGANIC SOLVENT, AND PECTIC ACID SEIKO EPSON CORPORATION (JP) 1999-02-16 — — US disclosed
EP-0838508-A2 Aqueous ink composition for use in an ink-jet printer SEIKO EPSON CORPORATION (JP) 1998-04-29 — — EP disclosed
US-3983175-A FROM ORGANIC HALIDE AND A KETONE KURARAY CO., LTD. (JA) 1976-09-28 — — US 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 (9 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-20070105865-A1 Substituted bicyclic quinazolin-4-ylamine derivatives PIGS, HRH4, GPR35 ADRB2 43/4885TSHR 276/4885SMN1; SMN2 2933/4885
US-20070161637-A1 Substituted pyridin-2-ylamine analogues PIGS, GPR35, GPR174 ADRB2 32/4885TSHR 92/4885SMN1; SMN2 1213/4885
US-20070191363-A1 Heteroalkyl-substituted biphenyl-4-carboxylic acid arylamide analogues AHR, HCAR2, HCAR1 ADRB2 226/4885TSHR 162/4885SMN1; SMN2 3167/4885
US-20110003813-A1 SUBSTITUTED BIARYL PIPERAZINYL-PYRIDINE ANALOGUES GPR88, PIGO, PRLHR ADRB2 86/4885TSHR 91/4885SMN1; SMN2 2986/4885
US-20110002855-A1 PIPERAZINYL OXOALKYL TETRAHYDRO-BETA-CARBOLINES AND RELATED ANALOGUES HRH3, HRH4, HRH1 ADRB2 24/4885TSHR 405/4885SMN1; SMN2 4167/4885
US-20110082130-A1 PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES HRH3, HRH4, HRH1 ADRB2 267/4885TSHR 314/4885SMN1; SMN2 1615/4885
US-20070078135-A1 Substituted heteroaryl CB1 antagonists CNR1, CNR2, OPRL1 ADRB2 88/4885TSHR 312/4885SMN1; SMN2 3464/4885
US-20120208829-A1 2-PHENOXY PYRIMIDINONE ANALOGUES GPR174, GPR17, PTGFR ADRB2 62/4885TSHR 106/4885SMN1; SMN2 1895/4885
US-20070197559-A1 Aryl substituted purine analogues ADORA2A, GART, P2RX7 ADRB2 219/4885TSHR 218/4885SMN1; SMN2 1731/4885

“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.