SCHEMBL1047449

SCHEMBL1047449

CCCOc1cccc(CCN)c1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.64
ACHE P22303 3/20 0.52
DHFR P00374 1/20 0.51
MAOB P27338 1/20 0.50
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
KMT2A Q03164 1/20 0.49
HTR1A P08908 1/20 0.48
HTR1B P28222 1/20 0.48
TSHR P16473 1/20 0.46
CYP2D6 P10635 1/20 0.46

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
SCHEMBL2911039 0.92 TAAR1 (0.62) TAAR1ACHEDHFRMAOBTSHR
SCHEMBL4569094 0.90 TAAR1 (0.51) TAAR1DHFRCA1CA2CA7
Hydrochloric Acid SCHEMBL3020991 0.90 TAAR1 (0.60) TAAR1ACHEDHFRMAOBTSHR
SCHEMBL7991368 0.90 TAAR1 (0.60) TAAR1DHFRTSHRCYP2D6
SCHEMBL17402422 0.89 TSHR (0.62) TAAR1DHFRTSHRCYP2D6
SCHEMBL9583212 0.89 TSHR (0.62) TAAR1DHFRTSHRCYP2D6
Hydrochloric Acid SCHEMBL28001157 0.87 TSHR (0.60) TAAR1DHFRKMT2ATSHRCYP2D6
SCHEMBL146849 0.86 TAAR1 (0.68) TAAR1ACHEDHFRMAOBCA1
SCHEMBL30820845 0.86 TAAR1 (0.68) TAAR1ACHEDHFRMAOBCA1
SCHEMBL2538910 0.86 DHFR (0.54) TAAR1DHFRMAOBCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11690390-B2 Taste modifying product FIRMENICH SA (CH) 2023-07-04 US disclosed
EP-2912954-B1 Taste modifying product and use thereof FIRMENICH & CIE (CH) 2023-03-22 EP disclosed
US-20220264923-A1 Taste Modifying Product FIRMENICH SA (CH) 2022-08-25 US disclosed
US-20220177417-A1 PROCESS FOR THE PRODUCTION OF SUBSTITUTED 2-[2-(PHENYL) ETHYLAMINO]ALKANEAMIDE DERIVATIVES NEWRON PHARMACEUTICALS S.P.A. (IT) 2022-06-09 US disclosed
CN-112168824-B Application of aporphine compound 苏州大学 2022-05-24 CN disclosed
US-11291231-B2 Taste modifying product FIRMENICH SA (CH) 2022-04-05 US disclosed
US-11224243-B2 Taste-modifying combinations FIRMENICH SA (CH) 2022-01-18 US disclosed
EP-2934182-B1 TASTE-MODIFYING COMBINATIONS FIRMENICH & CIE (CH) 2021-07-28 EP disclosed
CN-104883904-B Taste modifying compositions 弗门尼舍有限公司 2021-04-06 CN disclosed
CN-112168824-A Application of aporphine compound 苏州大学 2021-01-05 CN disclosed
EP-0789577-A1 SYNTHESIS OF N-SUBSTITUTED OLIGOMERS CHIRON CORPORATION (US) 1997-08-20 EP disclosed
WO-1996040202-A1 SYNTHESIS OF N-SUBSTITUTED OLIGOMERS CHIRON CORPORATION (US) 1996-12-19 WO disclosed
US-5536853-A Opiate receptor ligands CHIRON CORPORATION (US) 1996-07-16 US disclosed
US-5480871-A TREATMENT OF BENIGN PROSTATIC HYPERPLASIA CHIRON CORPORATION (US) 1996-01-02 US disclosed
WO-1995027729-A1 OPIATE RECEPTOR LIGANDS CHIRON CORPORATION (US) 1995-10-19 WO disclosed
US-5447916-A Hypotensive agents CHIRON CORPORATION (US) 1995-09-05 US disclosed
WO-1995004072-A1 PEPTOID ALPHA-1 ADRENERGIC RECEPTOR LIGANDS CHIRON CORPORATION (US) 1995-02-09 WO disclosed
EP-0170524-B1 NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1992-07-15 EP disclosed
US-4968698-A FUNGICIDES, ANTIPROTOZOA AGENTS BURROUGHS WELLCOME CO. (US) 1990-11-06 US disclosed
EP-0170524-A2 Nitrogen containing heterocyclic compounds THE WELLCOME FOUNDATION LIMITED (GB) 1986-02-05 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-11291231-B2 Taste modifying product TAS2R5, TAS2R1, TAS2R45 TAAR1 1901/4885ACHE 3425/4885DHFR 2943/4885
US-11690390-B2 Taste modifying product TAS2R5, TAS2R1, TAS2R45 TAAR1 1869/4885ACHE 3373/4885DHFR 2834/4885
US-20220264923-A1 Taste Modifying Product TAS2R5, TAS2R1, TAS2R45 TAAR1 1869/4885ACHE 3373/4885DHFR 2834/4885
US-20220177417-A1 PROCESS FOR THE PRODUCTION OF SUBSTITUTED 2-[2-(PHENYL) ETHYLAMINO]ALKANEAMIDE DERIVATIVES PKD2, BCKDK, ALK TAAR1 3187/4885ACHE 2135/4885DHFR 1540/4885

“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.