SCHEMBL29966331

SCHEMBL29966331

O=C1c2ccc(N3CCNCC3)cc2CN1[C@H]1CCCNC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.46
HTR2C P28335 16/20 0.46
HTR2B P41595 16/20 0.46
HTR2A P28223 15/20 0.46
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR3A P46098 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
HTR6 P50406 1/20 0.37

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
SCHEMBL29966514 1.00 PARP1 (0.46) PARP1HTR2CHTR2BHTR2AHTR3E
SCHEMBL26625271 1.00 PARP1 (0.46) PARP1HTR2CHTR2BHTR2AHTR3E
SCHEMBL30747194 0.91 PARP1 (0.46) PARP1HTR2CHTR2BHTR2AHTR3E
SCHEMBL30069799 0.91 PARP1 (0.46) PARP1HTR2CHTR2BHTR2AHTR3E
SCHEMBL32664871 0.87 PARP1 (0.41) PARP1HTR2CHTR2BHTR2AHTR3E
SCHEMBL29975791 0.87 ESR1 (0.41) PARP1HTR2CHTR2BHTR2AHTR3E
SCHEMBL30002807 0.86 PARP1 (0.44) PARP1HTR2CHTR2BHTR2AHTR3E
SCHEMBL30702593 0.86 PARP1 (0.44) PARP1HTR2CHTR2BHTR2AHTR3E
SCHEMBL30351677 0.85 PARP1 (0.43) PARP1HTR2CHTR2BHTR2AHTR3E
SCHEMBL30801290 0.85 PARP1 (0.40) PARP1HTR2CHTR2BHTR2AHTR3E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250177539-A1 ER DEGRADERS AND USES THEREOF ASTRAZENECA AB (SE) 2025-06-05 US disclosed
EP-4317146-A1 TETRAHYDRONAPHTHALENE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE Jiangsu Hengrui Pharmaceuticals Co., Ltd. (CN) 2024-02-07 EP disclosed
WO-2022206737-A1 TETRAHYDRONAPHTHALENE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE 江苏恒瑞医药股份有限公司 2022-10-06 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 (1 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-20250177539-A1 ER DEGRADERS AND USES THEREOF ESR1, ESR2, ESRRA PARP1 4046/4885HTR2C 1836/4885HTR2B 2060/4885

“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.