SCHEMBL7732043

SCHEMBL7732043

COc1cc(N)ccc1N1CCNCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 5/20 0.61
HTR3E A5X5Y0 3/20 0.61
HTR3B O95264 3/20 0.61
HTR3D Q70Z44 3/20 0.61
HTR3C Q8WXA8 3/20 0.61
ADRB1 P08588 2/20 0.61
DRD2 P14416 2/20 0.61
CYP2C19 P33261 1/20 0.61
DRD3 P35462 1/20 0.61
HTR6 P50406 1/20 0.61
SIGMAR1 Q99720 1/20 0.61
MAPT P10636 2/20 0.59
LMNA P02545 1/20 0.59
NR4A1 P22736 1/20 0.53
HTR7 P34969 2/20 0.51
NCF1 P14598 1/20 0.49
KDM4E B2RXH2 1/20 0.48
APAF1 O14727 1/20 0.48
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL15358685 0.88 NR4A1 (0.61) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL2779635 0.87 HTR3E (0.68) HTR3AHTR3EHTR3BHTR3DHTR3C
Tert-Butyl Formate SCHEMBL28334261 0.87 HTR3A (0.48) HTR3AHTR3EHTR3BHTR3DHTR3C
Hydrochloric Acid SCHEMBL1641730 0.86 HTR3A (0.66) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL6876567 0.86 HTR3E (0.66) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL1930522 0.85 ALDH1A1 (0.59) MAPTLMNANR4A1KDM4EALDH1A1
SCHEMBL3166854 0.83 ALDH1A1 (0.59) MAPTLMNANR4A1KDM4EALDH1A1
SCHEMBL13723875 0.83 NR4A1 (0.49) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL233151 0.82 HTR3A (0.71) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL6709128 0.82 HTR3A (0.63) HTR3AHTR3EHTR3BHTR3DHTR3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024128829-A1 TRAP-1 INHIBITOR 주식회사 스마틴바이오 2024-06-20 WO disclosed
EP-3553064-B1 COMPOUND CONTAINING TRICYCLIC HETEROARYL GROUP HANGZHOU INNOGATE PHARMA CO LTD (CN) 2023-06-07 EP disclosed
WO-2022192162-A1 NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) 2022-09-15 WO disclosed
EP-2938608-B1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 SANFORD BURNHAM MED RES INST (US) 2021-08-04 EP disclosed
WO-2020140055-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. (US) 2020-07-02 WO disclosed
WO-2020140053-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. (US) 2020-07-02 WO disclosed
WO-2020140052-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. (US) 2020-07-02 WO disclosed
WO-2020140054-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. (US) 2020-07-02 WO disclosed
US-9868707-B2 Small molecule agonists of neurotensin receptor 1 SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2018-01-16 US disclosed
US-20150329497-A1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 DUKE UNIVERSITY (US) 2015-11-19 US disclosed
US-6399614-B1 TREATING NEUROMUSCULAR DYSFUNCTION OF LOWER URINARY TRACT VIA PERIPHERAL OR CENTRAL NERVOUS SYSTEM; SEROTONIN RECEPTOR ANTAGONIST RECORDATI S.A. CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 2002-06-04 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 (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-20150329497-A1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 NTSR1, NTSR2, VIPR1 HTR3A 166/4885HTR3E 290/4885HTR3B 121/4885

“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.