SCHEMBL10199987

SCHEMBL10199987

c1cnc2c(c1)CNCCO2

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 5/20 0.40
PNMT P11086 1/20 0.38
CD44 P16070 1/20 0.38
MAOB P27338 1/20 0.38
PDE1A P54750 5/20 0.37
PDE1B Q01064 5/20 0.37
PDE1C Q14123 5/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
OXTR P30559 1/20 0.35
SSTR1 P30872 1/20 0.35
SSTR2 P30874 1/20 0.35
SSTR3 P32745 1/20 0.35
SSTR5 P35346 1/20 0.35
RYR2 Q92736 1/20 0.33

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
SCHEMBL31111396 1.00 SSTR4 (0.40) SSTR4PNMTCD44MAOBPDE1A
Hydrochloric Acid SCHEMBL2110952 0.98 SSTR4 (0.39) SSTR4PNMTCD44MAOBPDE1A
Hydrochloric Acid SCHEMBL15328877 0.98 SSTR4 (0.39) SSTR4PNMTCD44MAOBPDE1A
SCHEMBL30317484 0.90 PDE1A (0.41) SSTR4PNMTCD44MAOBPDE1A
Trifluoroacetic Acid SCHEMBL9949838 0.87 SSTR4 (0.43) SSTR4SSTR1SSTR2SSTR3SSTR5
SCHEMBL10200477 0.84 HTR2C (0.45) PNMTCD44MAOB
Hydrochloric Acid SCHEMBL2112080 0.83 HTR2C (0.44) PNMTCD44MAOB
SCHEMBL618831 0.75
SCHEMBL2110694 0.74 APEX1 (0.32) CD44
SCHEMBL10200116 0.73 POLB (0.51) POLBSMN1; SMN2

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
EP-4612146-A1 AHR AGONISTS Eli Lilly and Company (US) 2025-09-10 EP disclosed
US-20250011338-A1 Kinase Inhibitors and Uses Thereof DENALI THERAPEUTICS INC. (US) 2025-01-09 US disclosed
US-12129263-B2 Kinase inhibitors and uses thereof DENALI THERAPEUTICS INC. (US) 2024-10-29 US disclosed
WO-2024097606-A1 AHR AGONISTS ELI LILLY AND COMPANY (US) 2024-05-10 WO disclosed
EP-3652180-B1 SUBSTITUTED BENZOXAZOLE AND BENZOFURAN COMPOUNDS AS PDE7 INHIBITORS DART NEUROSCIENCE LLC (US) 2023-11-29 EP disclosed
US-20230295178-A1 SUBSTITUTED FURANOPYRIMIDINE COMPOUNDS AS PDE1 INHIBITORS DART NEUROSCIENCE LLC (US) 2023-09-21 US disclosed
US-20230295178-A1 SUBSTITUTED FURANOPYRIMIDINE COMPOUNDS AS PDE1 INHIBITORS DART NEUROSCIENCE LLC (US) 2023-09-21 US disclosed
US-11685745-B2 Substituted benzoxazole and benzofuran compounds as PDE7 inhibitors DART NEUROSCIENCE, LLC (US) 2023-06-27 US disclosed
US-20230144411-A1 SUBSTITUTED CYCLOHEXYL COMPOUNDS AS NOP INHIBITORS DART NEUROSCIENCE LLC 2023-05-11 US disclosed
EP-3759085-B1 SUBSTITUTED CYCLOHEXYL COMPOUNDS AS NOP INHIBITORS DART NEUROSCIENCE LLC (US) 2022-12-14 EP disclosed
US-20150238506-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-08-27 US disclosed
US-20150238506-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-08-27 US disclosed
US-9079907-B2 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-07-14 US disclosed
US-9079907-B2 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-07-14 US disclosed
US-20120165312-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SHIRAI JUNYA (JP) 2012-06-28 US disclosed
US-20120165312-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SHIRAI JUNYA (JP) 2012-06-28 US disclosed
US-8158617-B2 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-17 US disclosed
US-8158617-B2 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-17 US disclosed
US-20090131402-A1 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-05-21 US disclosed
US-20090131402-A1 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-05-21 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-20120165312-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF HTR2C, HTR3C, HTR3B SSTR4 87/4885PNMT 113/4885CD44 3362/4885
US-20090131402-A1 Fused heterocyclic compound and use thereof HTR2C, HTR3C, HTR3B SSTR4 87/4885PNMT 113/4885CD44 3362/4885
US-20250011338-A1 Kinase Inhibitors and Uses Thereof MAP3K20, MAP3K6, MAP3K19 SSTR4 4099/4885PNMT 3082/4885CD44 3586/4885
US-11685745-B2 Substituted benzoxazole and benzofuran compounds as PDE7 inhibitors PDE7A, PDE7B, PDE8B SSTR4 3015/4885PNMT 1646/4885CD44 4872/4885
US-20230295178-A1 SUBSTITUTED FURANOPYRIMIDINE COMPOUNDS AS PDE1 INHIBITORS PDE4A, PDE5A, PDE3A SSTR4 3831/4885PNMT 528/4885CD44 3604/4885
US-20230144411-A1 SUBSTITUTED CYCLOHEXYL COMPOUNDS AS NOP INHIBITORS OPRL1, OPRK1, NOP56 SSTR4 2131/4885PNMT 17/4885CD44 4343/4885
US-20150238506-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF HTR2C, HTR3C, HTR3B SSTR4 87/4885PNMT 113/4885CD44 3362/4885
US-12129263-B2 Kinase inhibitors and uses thereof MAP3K20, MAP3K6, MAP3K19 SSTR4 4099/4885PNMT 3082/4885CD44 3586/4885

“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.