SCHEMBL4229484

SCHEMBL4229484

ICCc1c[nH]c2ccccc12

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.67
CYP3A4 P08684 2/20 0.67
HTR2C P28335 2/20 0.67
HTR6 P50406 2/20 0.67
MPO P05164 1/20 0.67
CYP1A2 P05177 1/20 0.67
CYP2D6 P10635 1/20 0.67
CYP2A6 P11509 1/20 0.67
NFKB1 P19838 1/20 0.67
HTR1D P28221 1/20 0.67
HTR1B P28222 1/20 0.67
HTR7 P34969 1/20 0.67
CTSK P43235 1/20 0.67
CYP2A13 Q16696 1/20 0.67
TAAR1 Q96RJ0 1/20 0.67
PMP22 Q01453 1/20 0.65
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
MAPT P10636 1/20 0.64
AHR P35869 1/20 0.64

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
SCHEMBL29756457 1.00 HTR2A (0.67) HTR2ACYP3A4HTR2CHTR6MPO
SCHEMBL318663 0.89 SLC6A4 (0.63) HTR2ACYP3A4HTR2CHTR6MPO
SCHEMBL4985934 0.87 HTR2A (0.77) HTR2ACYP3A4HTR2CHTR6MPO
SCHEMBL10577333 0.87 SLC6A4 (0.61) HTR2ACYP3A4HTR2CHTR6MPO
SCHEMBL5513682 0.84 HTR2A (0.67) HTR2ACYP3A4HTR2CHTR6MPO
SCHEMBL5020054 0.83 MEN1 (0.69) HTR2ACYP3A4HTR2CHTR6MPO
SCHEMBL7005718 0.83 HTR2A (0.71) HTR2ACYP3A4HTR2CHTR6MPO
SCHEMBL7004146 0.83 HTR2A (0.71) HTR2ACYP3A4HTR2CHTR6MPO
SCHEMBL7889427 0.82 HTR2A (0.69) HTR2ACYP3A4HTR2CHTR6MPO
SCHEMBL7004071 0.82 HTR2A (0.69) HTR2ACYP3A4HTR2CHTR6MPO

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114716296-B Efficient halogenation synthesis method of alkyl halide 润药仁智(北京)科技有限公司 2023-12-12 CN disclosed
US-20230357286-A1 KETONE SYNTHESIS AND APPLICATIONS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-11-09 US disclosed
US-20230357286-A1 KETONE SYNTHESIS AND APPLICATIONS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-11-09 US disclosed
US-20230146455-A1 TREATMENT OF INFLAMMATORY DISEASES WITH PEPTIDES AND PHARMACEUTICAL COMPOSITIONS YUYU PHARMA, INC. (KR) 2023-05-11 US disclosed
CN-114716296-A Efficient halogenation synthesis method of alkyl halide 北京大学 2022-07-08 CN disclosed
US-11225480-B2 Malic enzyme inhibitors SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2022-01-18 US disclosed
CN-108440373-B Iron-catalyzed cyanoalkylindoline and preparation method thereof 昆明学院 2021-05-14 CN disclosed
US-20210115038-A1 MALIC ENZYME INHIBITORS SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2021-04-22 US disclosed
US-20210009603-A1 SUBSTITUTED TETRAHYDROPYRANOINDOLES, DERIVATIVES THEREOF, AND THEIR METHODS OF SYNTHESIS AND USE NORTHWESTERN UNIVERSITY (US) 2021-01-14 US disclosed
WO-2017197488-A1 LIBRARIES OF DIVERSE MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CYCLENIUM PHARMA INC. (CA) 2017-11-23 WO disclosed
WO-2017082924-A1 PEPTIDE AND PEPTIDE MIMETIC BINDING ANTAGONISTS OF POLO-LIKE KINASE 1 POLO BOX DOMAIN AND METHODS OF USE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH & HUMAN SERVICES (US) 2017-05-18 WO disclosed
WO-2017070026-A1 CORROSION INHIBITION SCHLUMBERGER TECHNOLOGY CORPORATION (US) 2017-04-27 WO disclosed
WO-2017049383-A1 LIBRARIES OF HETEROARYL-CONTAINING MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CYCLENIUM PHARMA INC. (CA) 2017-03-30 WO disclosed
WO-2013033602-A2 FATTY ACID AMIDES, COMPOSITIONS AND METHODS OF USE MILNE JILL C (US) 2013-03-07 WO disclosed
WO-2009006089-A2 A2 ADENOSINE RECEPTOR AGONISTS GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2009-01-08 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 (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-20210115038-A1 MALIC ENZYME INHIBITORS ME1, ME2, ME3 HTR2A 4881/4885CYP3A4 1363/4885HTR2C 4884/4885
US-20230146455-A1 TREATMENT OF INFLAMMATORY DISEASES WITH PEPTIDES AND PHARMACEUTICAL COMPOSITIONS VIP, TSLP, IAPP HTR2A 3621/4885CYP3A4 4668/4885HTR2C 4341/4885
US-11225480-B2 Malic enzyme inhibitors ME1, RNASE1, ME2 HTR2A 4876/4885CYP3A4 1503/4885HTR2C 4875/4885
US-20210009603-A1 SUBSTITUTED TETRAHYDROPYRANOINDOLES, DERIVATIVES THEREOF, AND THEIR METHODS OF SYNTHESIS AND USE HPGDS, SYVN1, PTGIS HTR2A 488/4885CYP3A4 1833/4885HTR2C 478/4885
US-20230357286-A1 KETONE SYNTHESIS AND APPLICATIONS NISCH, COASY, KLK7 HTR2A 4756/4885CYP3A4 2242/4885HTR2C 4765/4885

“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.