SCHEMBL91128

SCHEMBL91128

CCCc1c[nH]c2ccccc12

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.72
HTR1A P08908 3/20 0.67
CYP3A4 P08684 3/20 0.67
HTR6 P50406 2/20 0.67
HTR2C P28335 2/20 0.67
CYP2D6 P10635 2/20 0.67
MPO P05164 1/20 0.67
CYP1A2 P05177 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
KDM4E B2RXH2 3/20 0.66
ALDH1A1 P00352 3/20 0.66
HTR2B P41595 1/20 0.66
HTT P42858 1/20 0.66

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
SCHEMBL29414676 1.00 HTR2A (0.72) HTR2AHTR1ACYP3A4HTR6HTR2C
Ammonia Solution, Strong SCHEMBL28674693 0.98 HTR2A (0.70) HTR2AHTR1ACYP3A4HTR6HTR2C
SCHEMBL28315162 0.98 HTR2A (0.70) HTR2AHTR1ACYP3A4HTR6HTR2C
SCHEMBL266641 0.89 SLC6A4 (0.68) HTR2AHTR1ACYP3A4HTR6HTR2C
SCHEMBL4985934 0.87 HTR2A (0.77) HTR2AHTR1ACYP3A4HTR6HTR2C
Ammonia Solution, Strong SCHEMBL10491416 0.87 SLC6A4 (0.66) HTR2AHTR1ACYP3A4HTR6HTR2C
SCHEMBL109955 0.87 SLC6A4 (0.66) HTR2AHTR1ACYP3A4HTR6HTR2C
SCHEMBL24961938 0.85 SLC6A4 (0.64) HTR2AHTR1ACYP3A4HTR6HTR2C
SCHEMBL8079335 0.85 SLC6A4 (0.64) HTR2AHTR1ACYP3A4HTR6HTR2C
SCHEMBL1563873 0.85 SLC6A4 (0.64) HTR2AHTR1ACYP3A4HTR6HTR2C

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 1315 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240261419-A1 PSILOCYBIN AND PSILOCIN CONJUGATES FOR TREATMENT OF MENTAL ILLNESSES LONDON PHARMACEUTICALS AND RESEARCH CORPORATION (CA) 2024-08-08 US claimed
CN-115956483-A Method for improving early-maturing property of japonica rice 许可 2023-04-14 CN claimed
CN-109715617-B Dimethoxyphenyl-substituted indole compounds as inhibitors of TLR7, TLR8 or TLR9 百时美施贵宝公司 2022-04-19 CN claimed
CN-110178845-A A kind of organic RE compound and its preparation method and application that growth-promoting is disease-resistant 中国农业大学 2019-08-30 CN claimed
CN-110169495-A A kind of feed addictive improving intestinal immunity and intestinal growth 湖南师范大学 2019-08-27 CN claimed
CN-108770853-A A kind of plant establishment controlled release long-acting film and preparation method thereof 高佳喜 2018-11-09 CN claimed
CN-105073767-B The propionate of indoles 3 of stable S adenosine L methionine 赫伯特·山姆-E有限责任公司 2018-01-02 CN claimed
WO-2017160361-A1 POLYISOCYANURATE CATALYSTS FOR METAL PANELS AND SPRAY FOAMS HUNTSMAN PETROCHEMICAL LLC (US) 2017-09-21 WO claimed
CN-107105642-A Plant growth regulator and the non-aqueous solution of polarity and/or semi-polarity organic solvent 斯托尔勒企业公司 2017-08-29 CN claimed
CN-103554170-B Aryl organic acid ester-containing tricyclohexyltin compounds, and preparation methods and application thereof 衡阳师范学院 2017-02-08 CN claimed
WO-1998033776-A1 COMBINATORIAL LIBRARIES OF HYDANTOIN AND THIOHYDANTOIN DERIVATIVES, METHODS OF MAKING THE LIBRARIES AND COMPOUNDS THEREIN TREGA BIOSCIENCES, INC. (US) 1998-08-06 WO claimed
EP-0422178-A1 PYRIMIDINE DERIVATIVES. ICI PLC (GB) 1991-04-17 EP claimed
WO-2026106815-A1 Z-INDUCING CHIMERA COMPOSITION RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2026-05-21 WO disclosed
WO-2024151855-A1 BICYCLIC CARBAMOYL PYRIDONE-BASED INTEGRASE STRAND TRANSFER INHIBITORS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2024-07-18 WO disclosed
US-12037415-B2 Peptide and pharmaceutical composition for treating an eye disease comprising the same as an active pharmaceutical ingredient YUYU PHARMA, INC. (KR) 2024-07-16 US disclosed
US-12037415-B2 Peptide and pharmaceutical composition for treating an eye disease comprising the same as an active pharmaceutical ingredient YUYU PHARMA, INC. (KR) 2024-07-16 US disclosed
EP-0011277-A1 Dechloromaytansinoids, their production and use and pharmaceutical compositions containing them Takeda Chemical Industries, Ltd. (JP) 1980-05-28 EP disclosed
EP-0004466-A1 Demethyl maytansinoids and methods for producing them Takeda Chemical Industries, Ltd. (JP) 1979-10-03 EP disclosed
US-4059583-A CARDIAC RATE LOWERING MCNEIL LABORATORIES, INCORPORATED (US) 1977-11-22 US disclosed
US-3946009-A ADRENERGIC BLOCKING AGENTS MERCK SHARP & DOHME (I.A.) CORPORATION (US) 1976-03-23 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 (2 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-20240261419-A1 PSILOCYBIN AND PSILOCIN CONJUGATES FOR TREATMENT OF MENTAL ILLNESSES OPRL1, OPRK1, OPRM1 HTR2A 9/4885HTR1A 15/4885CYP3A4 2187/4885
US-12037415-B2 Peptide and pharmaceutical composition for treating an eye disease comprising the same as an active pharmaceutical ingredient VIP, IAPP, NGLY1 HTR2A 4057/4885HTR1A 3988/4885CYP3A4 4834/4885

“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.