SCHEMBL44600

SCHEMBL44600

N[C@H]1CCCc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.58
HTR2A P28223 2/20 0.45
RET P07949 1/20 0.45
TSHR P16473 1/20 0.44
ADRA2A P08913 2/20 0.44
ADRA1A P35348 2/20 0.44
LMNA P02545 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1B P35368 1/20 0.44
HTR1A P08908 1/20 0.44
OPRM1 P35372 1/20 0.44

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
SCHEMBL29415502 1.00 IDO1 (0.58) IDO1HTR2ARETTSHRADRA2A
SCHEMBL40422 1.00 IDO1 (0.58) IDO1HTR2ARETTSHRADRA2A
SCHEMBL30837489 1.00 IDO1 (0.58) IDO1HTR2ARETTSHRADRA2A
SCHEMBL14543304 1.00 IDO1 (0.58) IDO1HTR2ARETTSHRADRA2A
SCHEMBL10774751 1.00 IDO1 (0.58) IDO1HTR2ARETTSHRADRA2A
SCHEMBL469047 1.00 IDO1 (0.58) IDO1HTR2ARETTSHRADRA2A
Bromide SCHEMBL3727459 0.98 IDO1 (0.56) IDO1HTR2ARETADRA2AADRA1A
Methane SCHEMBL9503230 0.98 IDO1 (0.56) IDO1HTR2ARETADRA2AADRA1A
Hydrochloric Acid SCHEMBL7424398 0.98 IDO1 (0.59) IDO1HTR2ARET
Hydrochloric Acid SCHEMBL29757860 0.98 IDO1 (0.59) IDO1HTR2ARET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250078176-A1 ENVIRONMENTAL ATTRIBUTES FOR NITROGEN CONTAINING CHEMICALS BASF SE (DE) 2025-03-06 US claimed
US-12104106-B2 Compositions of chiral molecules and perovskite nanocrystals and methods of making the same ALLIANCE FOR SUSTAINABLE ENERGY, LLC (US) 2024-10-01 US claimed
CN-113668261-B Dyeing liquid for optical resin and application method thereof 拓烯科技(衢州)有限公司 2023-07-07 CN claimed
WO-2023117926-A1 ENVIRONMENTAL ATTRIBUTES FOR NITROGEN CONTAINING CHEMICALS BASF SE (DE) 2023-06-29 WO claimed
US-20220326082-A1 CHIRAL HETEROSTRUCTURES Alliance for Energy Innovation, LLC 2022-10-13 US claimed
CN-110003084-B Organic circular polarization luminescent material with both mechanoluminescence and aggregation-induced luminescence characteristics, and preparation method and application thereof 华南师范大学 2022-08-02 CN claimed
CN-113121410-B Organic circular polarization luminescent material and preparation method and application thereof 华南师范大学 2022-05-20 CN claimed
CN-113668261-A Dyeing liquid for optical resin and application method thereof 拓烯科技(衢州)有限公司 2021-11-19 CN claimed
CN-113121410-A Organic circular polarization luminescent material and preparation method and application thereof 华南师范大学 2021-07-16 CN claimed
US-10919913-B2 Spiro[3H-indole-3,2′-pyrrolidin]-2(1H)-one compounds and derivatives as MDM2-p53 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-02-16 US claimed
US-D646886-S1 Tip of an umbrella Pro Performance Sports, L.L.C. (US) 2011-10-18 US claimed
WO-2010081053-A2 TRANSAMINASE POLYPEPTIDES CODEXIS, INC. (US) 2010-07-15 WO claimed
US-20100174077-A1 Processes and intermediates VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-07-08 US claimed
EP-1934179-B1 PROCESSES AND INTERMEDIATES VERTEX PHARMA (US) 2010-04-07 EP claimed
US-20100063252-A1 PROCESSES AND INTERMEDIATES VERTEX PHARMACEUTICALS INCORPORATED 2010-03-11 US claimed
EP-2098519-A1 Process for the synthesis of ramelteon and its intermediates Teva Pharmaceutical Industries Ltd. (IL) 2009-09-09 EP claimed
US-20090069581-A1 PROCESS FOR THE SYNTHESIS OF RAMELTEON AND ITS INTERMEDIATES TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-03-12 US claimed
EP-1934179-A2 PROCESSES AND INTERMEDIATES Vertex Pharmaceuticals Incorporated (US) 2008-06-25 EP claimed
US-20070087973-A1 producing (1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoyl)-N-((S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl)octahydrocyclopenta[c]pyrrole-1-carboxamide, used as serine protease inhibitors, useful for treatment of hepatitis C virus infections VERTEX PHARMACEUTICALS INCORPORATED 2007-04-19 US claimed
WO-2007022459-A2 PROCESSES AND INTERMEDIATES VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-02-22 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20100063252-A1 PROCESSES AND INTERMEDIATES TFPI, SPINT2, SERPINB1 IDO1 1892/4885HTR2A 4247/4885RET 4171/4885
US-20070087973-A1 producing (1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoyl)-N-((S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl)octahydrocyclopenta[c]pyrrole-1-carboxamide, used as serine protease inhibitors, useful for treatment of hepatitis C virus infections PRSS1, CTRL, TMPRSS2 IDO1 348/4885HTR2A 1137/4885RET 3860/4885
US-20100174077-A1 Processes and intermediates TFPI, SPINT2, SERPINB1 IDO1 1892/4885HTR2A 4247/4885RET 4171/4885
US-20090069581-A1 PROCESS FOR THE SYNTHESIS OF RAMELTEON AND ITS INTERMEDIATES CYP2B6, UGT1A6, CYP2A6 IDO1 2791/4885HTR2A 2028/4885RET 2809/4885
US-10919913-B2 Spiro[3H-indole-3,2′-pyrrolidin]-2(1H)-one compounds and derivatives as MDM2-p53 inhibitors TP53, MDM2, FOXM1 IDO1 13/4885HTR2A 486/4885RET 762/4885

“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.