SCHEMBL2732089

SCHEMBL2732089

CC(C)(C)Oc1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CHRNB2 P17787 5/20 0.47
CHRNA4 P43681 5/20 0.47
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
CYP19A1 P11511 1/20 0.42
KIF11 P52732 1/20 0.41
KMT2A Q03164 1/20 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
SCHEMBL29583666 1.00 LMNA (0.50) LMNATDP1CHRNB2CHRNA4CYP11B1
SCHEMBL27983764 0.85 CHRNB2 (0.50) LMNATDP1CHRNB2CHRNA4CYP11B1
SCHEMBL26146529 0.80 LMNA (0.44) LMNATDP1CHRNB2CHRNA4CYP11B1
SCHEMBL9163000 0.79 LMNA (0.43) LMNATDP1CHRNB2CHRNA4CYP11B1
SCHEMBL7099252 0.79 CHRNB2 (0.45) LMNATDP1CHRNB2CHRNA4CYP11B1
SCHEMBL2303193 0.78 NPC1 (0.51) LMNATDP1CHRNB2CHRNA4CYP11B1
SCHEMBL29497468 0.78 NPC1 (0.51) LMNATDP1CHRNB2CHRNA4CYP11B1
SCHEMBL2301119 0.78 LMNA (0.50) LMNATDP1CHRNB2CHRNA4CYP11B1
SCHEMBL23934132 0.77 CHRNB2 (0.44) LMNATDP1CHRNB2CHRNA4CYP19A1
SCHEMBL3372165 0.77 PPARA (0.50) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12037324-B2 Biarylmethyl heterocycles BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-16 US disclosed
US-12037324-B2 Biarylmethyl heterocycles BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-16 US disclosed
US-20240228478-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. 2024-07-11 US disclosed
US-20230312511-A1 SELECTIVE D3 DOPAMINE RECEPTOR AGONISTS AND METHODS OF THEIR USE THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2023-10-05 US disclosed
US-20230312511-A1 SELECTIVE D3 DOPAMINE RECEPTOR AGONISTS AND METHODS OF THEIR USE THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2023-10-05 US disclosed
US-20230279023-A1 N/O-Linked Degrons and Degronimers for Protein Degradation C4 THERAPEUTICS, INC. (US) 2023-09-07 US disclosed
US-20230279023-A1 N/O-Linked Degrons and Degronimers for Protein Degradation C4 THERAPEUTICS, INC. (US) 2023-09-07 US disclosed
US-11591355-B2 CD73 inhibitors and uses thereof PELOTON THERAPEUTICS INC. (US) 2023-02-28 US disclosed
US-20230045357-A1 BIARYLMETHYL HETEROCYCLES Université de Montréal (CA) 2023-02-09 US disclosed
US-20220127256-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. 2022-04-28 US disclosed
US-20080107625-A1 Inhibitors of Hepatitis C Virus BRISTOL-MYERS SQUIBB COMPANY 2008-05-08 US disclosed
US-20080107623-A1 Inhibitors of Hepatitis C Virus BRISTOL-MYERS SQUIBB COMPANY 2008-05-08 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
US-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds ROTH GERALD J 2007-05-17 US disclosed
US-20070105852-A1 Thiophene and furan compounds ELI LILLY AND COMPANY 2007-05-10 US disclosed
US-20070099825-A1 ethyl 2-(biphenyl-4-yl)-6-(tert-butoxycarbonylamino)-2-methoxy-8-(2-nitrophenylsulfonyl)-5,16-dioxo-1,2,3,5,6,7,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[n]pyrrolo[2,1-c][1,4,8]triazacyclopentadecine-14a-carboxylate; viricide; synergistic with other active ingredients BRISTOL-MYERS SQUIBB COMPANY 2007-05-03 US disclosed
US-20070066573-A1 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors ELI LILLY AND COMPANY 2007-03-22 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 (14 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-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, GPR119, MCHR2 LMNA 4192/4885TDP1 4269/4885CHRNB2 583/4885
US-20080107623-A1 Inhibitors of Hepatitis C Virus HAVCR2, HCCS, VIP LMNA 3676/4885TDP1 4661/4885CHRNB2 4842/4885
US-20070099825-A1 ethyl 2-(biphenyl-4-yl)-6-(tert-butoxycarbonylamino)-2-methoxy-8-(2-nitrophenylsulfonyl)-5,16-dioxo-1,2,3,5,6,7,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[n]pyrrolo[2,1-c][1,4,8]triazacyclopentadecine-14a-carboxylate; viricide; synergistic with other active ingredients TERT, VIP, YWHAZ LMNA 2399/4885TDP1 1112/4885CHRNB2 4697/4885
US-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 LMNA 1962/4885TDP1 701/4885CHRNB2 4848/4885
US-20230312511-A1 SELECTIVE D3 DOPAMINE RECEPTOR AGONISTS AND METHODS OF THEIR USE SLC6A3, DRD3, DRD2 LMNA 3793/4885TDP1 375/4885CHRNB2 50/4885
US-11591355-B2 CD73 inhibitors and uses thereof ENTPD5, ENTPD1, ENTPD3 LMNA 2040/4885TDP1 192/4885CHRNB2 449/4885
US-20080107625-A1 Inhibitors of Hepatitis C Virus HAVCR2, HCCS, VIP LMNA 3676/4885TDP1 4661/4885CHRNB2 4842/4885
US-20230279023-A1 N/O-Linked Degrons and Degronimers for Protein Degradation CRBN, CBL, STUB1 LMNA 1209/4885TDP1 2876/4885CHRNB2 738/4885
US-20220127256-A1 COMPOUNDS AND METHODS OF USE F12, C1R, ABCG2 LMNA 1976/4885TDP1 2792/4885CHRNB2 3217/4885
US-20070105852-A1 Thiophene and furan compounds PSEN2, PSEN1, TPMT LMNA 4869/4885TDP1 287/4885CHRNB2 431/4885
US-12037324-B2 Biarylmethyl heterocycles ARRB1, ADRB2, ADRB1 LMNA 3031/4885TDP1 4458/4885CHRNB2 114/4885
US-20240228478-A1 COMPOUNDS AND METHODS OF USE F12, C1R, ABCG2 LMNA 1976/4885TDP1 2792/4885CHRNB2 3217/4885
US-20070066573-A1 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors GRIN1, GRIN3A, GRIK5 LMNA 4874/4885TDP1 1306/4885CHRNB2 198/4885
US-20230045357-A1 BIARYLMETHYL HETEROCYCLES ARRB1, ADRB2, ADRB1 LMNA 3031/4885TDP1 4458/4885CHRNB2 114/4885

“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.