SCHEMBL5532478

SCHEMBL5532478

COc1ccc(CC(C)C)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.45
KDM1A O60341 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
NNMT P40261 1/20 0.41
CYP11B1 P15538 1/20 0.40
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39
TUBB8 Q3ZCM7 1/20 0.39
TUBA3E Q6PEY2 1/20 0.39
TUBA1A Q71U36 1/20 0.39
TUBA1C Q9BQE3 1/20 0.39
TUBB6 Q9BUF5 1/20 0.39
TUBB2B Q9BVA1 1/20 0.39

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
SCHEMBL25146392 0.86 MKNK1 (0.50) ACACBCYP11B1CYP2A6
SCHEMBL1415143 0.85 ACACB (0.46) ACACBKDM1AMAOAMAOBNNMT
SCHEMBL13283764 0.85 SLC6A4 (0.55)
SCHEMBL23482186 0.84 ACACB (0.42) ACACBKDM1AMAOAMAOBNNMT
SCHEMBL5525647 0.83 MAPT (0.46) ACACBMAPT
SCHEMBL21503513 0.83 ACACB (0.46) ACACB
SCHEMBL24974030 0.83 MLNR (0.41) ACACB
SCHEMBL4966632 0.82 ACACB (0.41) ACACBKDM1AMAOAMAOBNNMT
SCHEMBL4968344 0.82 ACACB (0.44) ACACBKDM1AMAOAMAOBNNMT
SCHEMBL24261198 0.81 ACACB (0.40) ACACBKDM1AMAOAMAOBNNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3784669-B1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMA (US) 2023-10-25 EP disclosed
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2023-10-05 US disclosed
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2023-10-05 US disclosed
WO-2023148481-A1 SMO MODULATOR COMPOUNDS Omass Therapeutics Limited (GB) 2023-08-10 WO disclosed
WO-2023104043-A1 ANTI-APOPTOTIC PROTEIN BCL-2 INHIBITOR, PHARMACEUTICAL COMPOSITION AND USES THEREOF 杭州和正医药有限公司 2023-06-15 WO disclosed
US-20230045960-A1 SUBSTITUTED HETEROAROMATIC PYRAZOLO-PYRIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-02-16 US disclosed
US-11572364-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-02-07 US disclosed
US-11358936-B2 Lysyl oxidase-like 2 inhibitors and uses thereof PHARMAKEA, INC. (US) 2022-06-14 US disclosed
EP-3992197-A1 NITROGEN-CONTAINING POLYCYCLIC FUSED RING COMPOUNDS, AND PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Applied Pharmaceutical Science, Inc. (CN) 2022-05-04 EP disclosed
US-11254686-B1 Compounds and methods for modulating adenosine A2B receptor and adenosine A2A receptor CORVUS PHARMACEUTICALS, INC. (US) 2022-02-22 US disclosed
US-7803802-B2 Substituted amide beta secretase inhibitors SCHERING CORPORATION (US) 2010-09-28 US disclosed
EP-1458726-B1 MITOTIC KINESIN INHIBITORS MERCK & CO INC (US) 2009-07-15 EP disclosed
US-20080194625-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2008-08-14 US disclosed
US-20070219206-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2007-09-20 US disclosed
US-7262186-B2 Substituted pyrazolo[3,4-d] pyrimidinones as a mitotic kinesin inhibitor MERCK & CO., INC. (US) 2007-08-28 US disclosed
US-7262187-B2 Substituted oxazolo- and thizaolopyrimidinones as a mitotic kinesin inhibitor MERCK & CO., INC. (US) 2007-08-28 US disclosed
US-7262187-B2 Substituted oxazolo- and thizaolopyrimidinones as a mitotic kinesin inhibitor MERCK & CO., INC. (US) 2007-08-28 US disclosed
US-7244723-B2 Substituted furopyrimidinones as a mitotic kinesin inhibitors MERCK & CO., INC. (US) 2007-07-17 US disclosed
US-20070117797-A1 Alkylamino, arylamino, and sulfonamido cyclopentyl amide modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. 2007-05-24 US disclosed
US-7192949-B2 Substituted bicyclic pyrimidinones as a mitotic kinesin KSP inhibitors MERCK & CO., INC. (US) 2007-03-20 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 (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-20230045960-A1 SUBSTITUTED HETEROAROMATIC PYRAZOLO-PYRIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN2C ACACB 3063/4885KDM1A 3071/4885MAOA 883/4885
US-20070117797-A1 Alkylamino, arylamino, and sulfonamido cyclopentyl amide modulators of chemokine receptor activity CCR7, ACKR3, CCR2 ACACB 1491/4885KDM1A 3852/4885MAOA 2217/4885
US-11254686-B1 Compounds and methods for modulating adenosine A2B receptor and adenosine A2A receptor ADORA2A, ADORA2B, ADORA3 ACACB 1635/4885KDM1A 4382/4885MAOA 264/4885
US-11572364-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP ACACB 3209/4885KDM1A 691/4885MAOA 2764/4885
US-11358936-B2 Lysyl oxidase-like 2 inhibitors and uses thereof LOXL2, LOXL1, LOX ACACB 522/4885KDM1A 742/4885MAOA 67/4885
US-20070219206-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS ALOX5, ALOX15B, ALOX15 ACACB 665/4885KDM1A 3241/4885MAOA 427/4885
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP ACACB 3209/4885KDM1A 691/4885MAOA 2764/4885
US-20080194625-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS CNR2, CNR1, OPRL1 ACACB 702/4885KDM1A 1196/4885MAOA 2340/4885

“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.