SCHEMBL291729

SCHEMBL291729

O=C(O)OC(CNc1ccccn1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.60
FDPS P14324 1/20 0.51
GAA P10253 2/20 0.47
POLB P06746 1/20 0.47
ITGB3 P05106 4/20 0.44
ITGAV P06756 4/20 0.44
FABP1 P07148 1/20 0.44
FABP6 P51161 1/20 0.44
ITGB1 P05556 1/20 0.44
ITGB5 P18084 1/20 0.44
ITGB6 P18564 1/20 0.44
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
PKM P14618 2/20 0.42
CXCR4 P61073 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 2/20 0.41

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
SCHEMBL291728 0.91 CYP2D6 (0.60) CYP2D6FDPSGAAPOLBITGB3
SCHEMBL13628525 0.78 CYP2D6 (0.57) CYP2D6FDPSGAAPOLBFABP1
Phenyramidol SCHEMBL3446649 0.77 CYP2D6 (0.88) CYP2D6FDPSGAAPOLBFABP1
SCHEMBL4281005 0.76 CYP2D6 (0.72) CYP2D6FDPSGAAPOLBFABP1
SCHEMBL13628672 0.76 CYP2D6 (0.55) CYP2D6FDPSGAAPOLBITGB3
Phenyramidol SCHEMBL13310227 0.75 CYP2D6 (1.00) CYP2D6FDPSFABP1FABP6CXCR4
Phenyramidol SCHEMBL29500950 0.75 CYP2D6 (1.00) CYP2D6FDPSFABP1FABP6CXCR4
Phenyramidol SCHEMBL21963 0.75 CYP2D6 (1.00) CYP2D6FDPSFABP1FABP6CXCR4
Phenyramidol SCHEMBL13310219 0.75 CYP2D6 (1.00) CYP2D6FDPSFABP1FABP6CXCR4
Phenyramidol SCHEMBL20769334 0.74 CYP2D6 (0.97) CYP2D6FDPSFABP1FABP6CXCR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2727915-B1 Synthesis of deuterated catechols and benzo[d][1,3]dioxoles and derivatives thereof CONCERT PHARMACEUTICALS INC (US) 2016-04-13 EP claimed
EP-2727915-A1 Synthesis of deuterated catechols and benzo[d][1,3]dioxoles and derivatives thereof Concert Pharmaceuticals Inc. (US) 2014-05-07 EP claimed
EP-4419513-B1 ANTITUMORAL COMPOUNDS PHARMA MAR SA (ES) 2025-08-27 EP disclosed
US-12384800-B2 Antitumoral compounds PHARMA MAR, S.A. (ES) 2025-08-12 US disclosed
US-20250243174-A1 ANTITUMORAL COMPOUNDS PHARMA MAR, S.A. (ES) 2025-07-31 US disclosed
WO-2025077996-A1 SYNTHETIC PROCESS FOR THE MANUFACTURE OF ECTEINASCIDIN COMPOUNDS PHARMA MAR, S.A. (ES) 2025-04-17 WO disclosed
WO-2025050647-A1 IONIZABLE CATIONIC LIPID COMPOUNDS AS WELL AS PREPARATION METHOD THEREFOR AND USE THEREOF 晟迪生物医药(苏州)有限公司 2025-03-13 WO disclosed
US-12215100-B2 Anticancer compounds PHARMA MAR, S.A. (ES) 2025-02-04 US disclosed
EP-4419513-A1 ANTITUMORAL COMPOUNDS Pharma Mar S.A. (ES) 2024-08-28 EP disclosed
US-20240166666-A1 ANTITUMORAL COMPOUNDS PHARMA MAR SA (ES) 2024-05-23 US disclosed
US-20240131180-A1 DRUG ANTIBODY CONJUGATES PHARMA MAR, S.A. (ES) 2024-04-25 US disclosed
EP-2200997-A1 SYNTHESIS OF DEUTERATED CATECHOLS AND BENZOÝD¨Ý1,3¨DIOXOLES AND DERIVATIVES THEREOF Concert Pharmaceuticals Inc. (US) 2010-06-30 EP disclosed
US-20100048690-A2 ANTITUMORAL DIHYDROPYRAN-2-ONE COMPOUNDS PHARMA MAR, S.A. (ES) 2010-02-25 US disclosed
WO-2010010150-A1 SYNTHESIS OF INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-28 WO disclosed
US-20090186938-A1 ANTITUMORAL DIHYDROPYRAN-2-ONE COMPOUNDS PHARMA MAR, S.A. (ES) 2009-07-23 US disclosed
WO-2009077401-A1 ANTITUMORAL COMPOUNDS PHARMA MAR, S.A. (ES) 2009-06-25 WO disclosed
US-20090143432-A1 Synthesis of deuterated catechols and benzo[D][1,3]dioxoles and derivatives thereof CONCERT PHARMACEUTICALS, INC. (US) 2009-06-04 US disclosed
WO-2009035652-A1 SYNTHESIS OF DEUTERATED CATECHOLS AND BENZO[D][1,3] DIOXOLES AND DERIVATIVES THEREOF CONCERT PHARMACEUTICALS, INC. (US) 2009-03-19 WO disclosed
EP-2032551-A1 ANTITUMORAL DIHYDROPYRAN-2-ONE COMPOUNDS PHARMA MAR, S.A. (ES) 2009-03-11 EP disclosed
WO-2007144423-A1 ANTITUMORAL DIHYDROPYRAN-2-ONE COMPOUNDS PHARMA MAR, S.A. (ES) 2007-12-21 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 (8 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-12384800-B2 Antitumoral compounds TP53, TOP1, MCL1 CYP2D6 366/4885FDPS 2089/4885GAA 49/4885
US-20250243174-A1 ANTITUMORAL COMPOUNDS MCL1, XPOT, GZMB CYP2D6 379/4885FDPS 1912/4885GAA 102/4885
US-20100048690-A2 ANTITUMORAL DIHYDROPYRAN-2-ONE COMPOUNDS RPLP1, PKD1, KRAS CYP2D6 1283/4885FDPS 158/4885GAA 334/4885
US-20240131180-A1 DRUG ANTIBODY CONJUGATES STT3B, STT3A, TTL CYP2D6 380/4885FDPS 4681/4885GAA 320/4885
US-20090143432-A1 Synthesis of deuterated catechols and benzo[D][1,3]dioxoles and derivatives thereof COMT, DRD2, DRD3 CYP2D6 62/4885FDPS 1733/4885GAA 2823/4885
US-20240166666-A1 ANTITUMORAL COMPOUNDS TP53, TOP1, MCL1 CYP2D6 366/4885FDPS 2089/4885GAA 49/4885
US-20090186938-A1 ANTITUMORAL DIHYDROPYRAN-2-ONE COMPOUNDS RPLP1, PKD1, KRAS CYP2D6 1283/4885FDPS 158/4885GAA 334/4885
US-12215100-B2 Anticancer compounds TP53, MCL1, MYC CYP2D6 1371/4885FDPS 662/4885GAA 134/4885

“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.