SCHEMBL5604528

SCHEMBL5604528

COc1cccc(N2CCNC2=O)c1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.55
ALOX5 P09917 1/20 0.51
MGLL Q99685 1/20 0.50
MAPT P10636 2/20 0.49
DRD2 P14416 2/20 0.48
DRD3 P35462 2/20 0.48
NPC1 O15118 1/20 0.48
FADS1 O60427 1/20 0.47
CYP1A2 P05177 1/20 0.47
P2RX7 Q99572 1/20 0.44
KCNH2 Q12809 1/20 0.44
ALKBH5 Q6P6C2 1/20 0.43
DCTPP1 Q9H773 1/20 0.43

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
SCHEMBL5788222 0.93 ADRB1 (0.49) ADRB1ALOX5MGLLMAPTDRD2
SCHEMBL2884739 0.81 HTR3E (0.51) ADRB1MGLLMAPTNPC1
SCHEMBL2300655 0.81 CYP1A1 (0.50) ADRB1MAPT
SCHEMBL1663489 0.80 ADRB1 (0.59) ADRB1ALOX5MGLLMAPTDRD2
SCHEMBL20956923 0.80 DRD2 (0.49) DRD2DRD3KCNH2
SCHEMBL150081 0.80 ALOX5 (0.60) ADRB1ALOX5MGLLMAPTDRD2
Hydrochloric Acid SCHEMBL1584087 0.79 ADRB1 (0.57) ADRB1ALOX5MGLLMAPTDRD2
SCHEMBL2300656 0.79 TGFBR1 (0.40) ALOX5MAPTDRD2
SCHEMBL2301613 0.79 TGFBR1 (0.42) ALOX5MAPTDRD2
SCHEMBL25079569 0.78 DDB1 (0.66) ADRB1ALOX5MGLLMAPTDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12441714-B2 Pyrrolidine compounds ELI LILLY AND COMPANY (US) 2025-10-14 US disclosed
US-20220169636-A1 PYRROLIDINE COMPOUNDS ELI LILLY AND COMPANY 2022-06-02 US disclosed
US-20220169636-A1 PYRROLIDINE COMPOUNDS ELI LILLY AND COMPANY 2022-06-02 US disclosed
EP-3980409-A1 PYRROLIDINE COMPOUNDS ELI LILLY AND COMPANY (US) 2022-04-13 EP disclosed
US-11286249-B2 Pyrrolidine compounds ELI LILLY AND COMPANY (US) 2022-03-29 US disclosed
CN-114008021-A Pyrrolidine compounds 伊莱利利公司 2022-02-01 CN disclosed
US-20210253559-A1 PYRROLIDINE COMPOUNDS ELI LILLY AND COMPANY 2021-08-19 US disclosed
US-20210253559-A1 PYRROLIDINE COMPOUNDS ELI LILLY AND COMPANY 2021-08-19 US disclosed
WO-2020247429-A1 PYRROLIDINE COMPOUNDS ELI LILLY AND COMPANY (US) 2020-12-10 WO disclosed
WO-2020247429-A1 PYRROLIDINE COMPOUNDS ELI LILLY AND COMPANY (US) 2020-12-10 WO disclosed
US-20060264673-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2006-11-23 US disclosed
US-7115784-B2 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2006-10-03 US disclosed
US-20050215794-A1 Copper-catalyzed formation of carbon heteroatom and carbon-carbon bonds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-09-29 US disclosed
US-6867298-B2 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2005-03-15 US disclosed
CN-1518534-A Copper-catalyzed carbon-heteroatom and carbon-carbon bond formation 麻省理工学院 2004-08-04 CN disclosed
US-6759554-B2 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2004-07-06 US disclosed
EP-1390340-A1 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2004-02-25 EP disclosed
US-20040019216-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-01-29 US disclosed
US-20030065187-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-04-03 US disclosed
WO-2002085838-A1 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2002-10-31 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-20060264673-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds ADH5, CBR3, ALDH3A1 ADRB1 4040/4885ALOX5 453/4885MGLL 3207/4885
US-20050215794-A1 Copper-catalyzed formation of carbon heteroatom and carbon-carbon bonds CBR3, ADH5, IDH1 ADRB1 3978/4885ALOX5 335/4885MGLL 3577/4885
US-12441714-B2 Pyrrolidine compounds ADCYAP1R1, AVPR2, NPPA ADRB1 1568/4885ALOX5 1806/4885MGLL 3436/4885
US-20030065187-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds ADH5, CBR3, ALDH3A1 ADRB1 4040/4885ALOX5 453/4885MGLL 3207/4885
US-20040019216-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds ADH5, CBR3, ALDH3A1 ADRB1 4040/4885ALOX5 453/4885MGLL 3207/4885
US-11286249-B2 Pyrrolidine compounds PAH, OTC, PPOX ADRB1 2131/4885ALOX5 877/4885MGLL 4599/4885
US-20210253559-A1 PYRROLIDINE COMPOUNDS PAH, OTC, PPOX ADRB1 2131/4885ALOX5 877/4885MGLL 4599/4885
US-20220169636-A1 PYRROLIDINE COMPOUNDS ADCYAP1R1, AVPR2, NPPA ADRB1 1568/4885ALOX5 1806/4885MGLL 3436/4885

“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.