SCHEMBL994623

SCHEMBL994623

O=C1CCN1C1CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.40
HTR2B P41595 6/20 0.40
TP53 P04637 1/20 0.39
HTR2A P28223 3/20 0.36
MAPK1 P28482 1/20 0.35
PARP1 P09874 1/20 0.35
FPR2 P25090 1/20 0.35
ACVRL1 P37023 2/20 0.34
ACVR1 Q04771 2/20 0.34
BMPR1A P36894 1/20 0.34
NOS3 P29474 1/20 0.33
NOS1 P29475 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
SCHEMBL297012 0.88 HTR2C (0.45) HTR2CHTR2BTP53HTR2ANOS3
Hydrochloric Acid SCHEMBL1456315 0.86 HTR2C (0.44) HTR2CHTR2BTP53NOS3NOS1
SCHEMBL1420634 0.86 HTR2C (0.44) HTR2CHTR2BTP53NOS3NOS1
Trifluoroacetic Acid SCHEMBL23849718 0.85 F2 (0.35) HTR2CHTR2BTP53PARP1FPR2
SCHEMBL19485613 0.84 HTR2C (0.36) HTR2CHTR2BTP53HTR2APARP1
Hydrochloric Acid SCHEMBL3450852 0.84 HTR2C (0.43) HTR2CHTR2BTP53NOS3NOS1
SCHEMBL2853069 0.84 HTR2C (0.43) HTR2CHTR2BTP53NOS3NOS1
SCHEMBL25408273 0.84 NOS3 (0.46) HTR2CHTR2BTP53HTR2AACVRL1
Hydrochloric Acid SCHEMBL21597931 0.83 HTR2C (0.42) HTR2CHTR2BTP53NOS3NOS1
Tert-Butyl Formate SCHEMBL27812018 0.82 TDP1 (0.38) HTR2CHTR2BTP53HTR2APARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12024499-B2 Muscarinic agonists HEPTARES THERAPEUTICS LIMITED (GB) 2024-07-02 US disclosed
US-12024499-B2 Muscarinic agonists HEPTARES THERAPEUTICS LIMITED (GB) 2024-07-02 US disclosed
CN-115677772-B Compound and composition for EGFR kinase inhibitor and application thereof 浙江大学智能创新药物研究院 2023-08-18 CN disclosed
US-20230002354-A1 MUSCARINIC AGONISTS NXERA PHARMA UK LIMITED (GB) 2023-01-05 US disclosed
US-11254656-B2 Muscarinic agonists HEPTARES THERAPEUTICS LIMITED (GB) 2022-02-22 US disclosed
EP-3331529-B1 MUSCARINIC AGONISTS HEPTARES THERAPEUTICS LTD (GB) 2021-09-29 EP disclosed
CN-108025004-B Muscarinic agonists 赫普泰雅治疗有限公司 2021-07-09 CN disclosed
US-20200354339-A1 MUSCARINIC AGONISTS NXERA PHARMA UK LIMITED (GB) 2020-11-12 US disclosed
WO-2017021729-A1 MUSCARINIC AGONISTS HEPTARES THERAPEUTICS LIMITED (GB) 2017-02-09 WO disclosed
EP-2215090-B1 PURINE DERIVATIVES USEFUL AS PI3 KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2015-03-04 EP disclosed
US-20110230464-A1 PURINE DERIVATIVES USEFUL AS P13 KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-09-22 US disclosed
US-20110021496-A1 THIENOPYRIMIDINE DERIVATIVES AS P13K INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-01-27 US disclosed
US-20110021496-A1 THIENOPYRIMIDINE DERIVATIVES AS P13K INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-01-27 US disclosed
US-20110021496-A1 THIENOPYRIMIDINE DERIVATIVES AS P13K INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-01-27 US disclosed
EP-2215090-A1 PURINE DERIVATIVES USEFUL AS PI3 KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-08-11 EP disclosed
EP-2205610-A1 THIENOPYRIMIDIENE DERIVATIVES AS PI3K INHIBITORS F. Hoffmann-Roche AG (CH) 2010-07-14 EP disclosed
WO-2009053715-A1 THIENOPYRIMIDIENE DERIVATIVES AS PI3K INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-04-30 WO disclosed
WO-2009053715-A1 THIENOPYRIMIDIENE DERIVATIVES AS PI3K INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-04-30 WO disclosed
WO-2009053716-A1 PURINE DERIVATIVES USEFUL AS PI3 KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2009-04-30 WO disclosed
WO-2009053716-A1 PURINE DERIVATIVES USEFUL AS PI3 KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2009-04-30 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 (6 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-20110230464-A1 PURINE DERIVATIVES USEFUL AS P13 KINASE INHIBITORS PIK3CA, PIK3CD, PI4KA HTR2C 2618/4885HTR2B 2106/4885TP53 889/4885
US-20200354339-A1 MUSCARINIC AGONISTS CHRM1, CHRM2, CHRM3 HTR2C 697/4885HTR2B 621/4885TP53 2034/4885
US-20110021496-A1 THIENOPYRIMIDINE DERIVATIVES AS P13K INHIBITORS PIK3CA, PIK3CD, PIK3CB HTR2C 2679/4885HTR2B 2046/4885TP53 351/4885
US-20230002354-A1 MUSCARINIC AGONISTS CHRM1, CHRM2, CHRM3 HTR2C 697/4885HTR2B 621/4885TP53 2034/4885
US-11254656-B2 Muscarinic agonists CHRM1, CHRM2, CHRM3 HTR2C 697/4885HTR2B 621/4885TP53 2034/4885
US-12024499-B2 Muscarinic agonists CHRM1, CHRM2, CHRM3 HTR2C 697/4885HTR2B 621/4885TP53 2034/4885

“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.