SCHEMBL329913

SCHEMBL329913

COc1cc2c(cc1OC)CNCC2

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 8/20 0.61
HTR2C P28335 8/20 0.61
HTR2B P41595 8/20 0.61
CD274 Q9NZQ7 1/20 0.49
MAOA P21397 2/20 0.49
TSHR P16473 1/20 0.49
CYP3A4 P08684 1/20 0.48
MAPT P10636 1/20 0.48
PNMT P11086 1/20 0.46

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
SCHEMBL29788066 1.00 HTR2A (0.61) HTR2AHTR2CHTR2BCD274MAOA
Hydrochloric Acid SCHEMBL915156 0.98 HTR2A (0.59) HTR2AHTR2CHTR2BCD274MAOA
Hydrochloric Acid SCHEMBL7075718 0.96 HTR2A (0.58) HTR2AHTR2CHTR2BCD274MAOA
Sulfuric Acid SCHEMBL28482842 0.89 HTR2A (0.51) HTR2AHTR2CHTR2BCD274MAOA
SCHEMBL3162737 0.89 HTR2A (0.74) HTR2AHTR2CHTR2BMAOATSHR
SCHEMBL24620372 0.89 HTR2A (0.54) HTR2AHTR2CHTR2BCD274PNMT
SCHEMBL14615343 0.89 HTR2A (0.54) HTR2AHTR2CHTR2BCD274PNMT
SCHEMBL21850578 0.89 HTR2A (0.54) HTR2AHTR2CHTR2BCD274PNMT
SCHEMBL19773028 0.89 HTR2A (0.54) HTR2AHTR2CHTR2BCD274PNMT
SCHEMBL22048865 0.88 HTR2C (0.49) HTR2AHTR2CHTR2BCD274MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118307497-A Terephthalamide antitumor compound and preparation method and application thereof 江苏海洋大学 2024-07-09 CN claimed
CN-118126114-A Sigma2 ligand and preparation method and application thereof 中国人民解放军空军军医大学 2024-06-04 CN claimed
CN-118027033-A HDAC6 inhibitor, preparation method thereof and application thereof in anti-inflammatory and ulcerative colitis 四川大学 2024-05-14 CN claimed
CN-115286616-A Tetrahydroisoquinoline and isoindoline compound capable of binding sigma-2 receptor, preparation method and application thereof 北京师范大学 2022-11-04 CN claimed
CN-112851679-B 2, 4, 7-trisubstituted pyrimidoindole compound with antitumor effect 广东医科大学 2022-03-25 CN claimed
CN-111621805-B Method for preparing 3, 4-dihydroisoquinoline by electrocatalytic selective dehydrogenation 天津大学 2022-02-18 CN claimed
US-11034650-B2 Compounds useful for treating a Mannheimia haemolytica or Histophilus somni infection INTERVET INC. (US) 2021-06-15 US claimed
CN-111621805-A Method for preparing 3, 4-dihydroisoquinoline by electrocatalytic selective dehydrogenation 天津大学 2020-09-04 CN claimed
CN-109678795-B 4-carbamate-ferulamide-1, 2,3, 4-tetrahydroisoquinoline compounds and preparation method and application thereof 南阳师范学院 2020-07-14 CN claimed
US-20200069811-A1 PEPTIDE-BASED MULTIPLE-DRUG DELIVERY VEHICLE ARIEL-UNIVERSITY RESEARCH AND DEVELOPMENT COMPANY LTD. (IL) 2020-03-05 US claimed
EP-0743573-B1 Method for obtaining image contrast migration imaging members XEROX CORP (US) 2000-09-06 EP claimed
WO-2000050406-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES LION BIOSCIENCE AG (DE) 2000-08-31 WO claimed
EP-0673782-B1 Recording sheets containing pyrrole, pyrrolidine, pyridine, piperidine, homopiperidine, quinoline, isoquinoline, quinuclidine, indole, and indazole compounds XEROX CORP (US) 2000-06-14 EP claimed
EP-0863877-A4 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TORREY PINES INST (US) 1999-07-21 EP claimed
US-5874443-A BIOSYNTHESIS TREGA BIOSCIENCES, INC. (US) 1999-02-23 US claimed
EP-0863877-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 1998-09-16 EP claimed
WO-1997016428-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 1997-05-09 WO claimed
EP-0338352-A2 Salicylic acid derivatives MERCK PATENT GmbH (DE) 1989-10-25 EP claimed
EP-0109039-B1 BENZO(F)QUINOLINE DERIVATIVES Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1987-02-25 EP claimed
US-4556656-A HYPOTENSIVE, ANTIPSYCHOTIC, DIABETIC, AND ANALGESIC AGENTS THE UPJOHN COMPANY (US) 1985-12-03 US 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 (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-11034650-B2 Compounds useful for treating a Mannheimia haemolytica or Histophilus somni infection HEXD, SORD, SDHA HTR2A 2518/4885HTR2C 2823/4885HTR2B 1790/4885
US-20200069811-A1 PEPTIDE-BASED MULTIPLE-DRUG DELIVERY VEHICLE VIP, NGLY1, IAPP HTR2A 3706/4885HTR2C 4222/4885HTR2B 3364/4885

“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.