SCHEMBL938787

SCHEMBL938787

NCC(N)C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.43
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
HTR2A P28223 1/20 0.42
KIF11 P52732 7/20 0.40
KCNN4 O15554 1/20 0.40
EPHX1 P07099 1/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35

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
Bromide SCHEMBL14334475 0.98 TAAR1 (0.41) TAAR1KDM4ELMNAMAPK1HTR2A
SCHEMBL21931379 0.84 KIF11 (0.54) KIF11
SCHEMBL569409 0.82 HRH1 (0.46) TAAR1KDM4ELMNAMAPK1HTR2A
SCHEMBL27443281 0.79 ANPEP (0.43) TAAR1KDM4ELMNAMAPK1KIF11
SCHEMBL6655141 0.79 KDM4E (0.46) TAAR1KDM4ELMNAMAPK1KIF11
SCHEMBL2390381 0.79 HRH1 (0.50) TAAR1KDM4ELMNAMAPK1HTR2A
SCHEMBL9768637 0.77 TAAR1 (0.50) TAAR1KDM4ELMNAMAPK1HTR2A
SCHEMBL1619121 0.77 TAAR1 (0.50) TAAR1KDM4ELMNAMAPK1HTR2A
Hydrochloric Acid SCHEMBL7066884 0.76 TAAR1 (0.48) TAAR1KDM4ELMNAMAPK1HTR2A
SCHEMBL914102 0.76 KDM4E (0.39) TAAR1KDM4ELMNAMAPK1KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4709424-A1 LYOPHILIZED PRODUCTS, PHARMACEUTICAL COMPOSITIONS, AND KITS COMPRISING DYE-PEPTIDE CONJUGATES AND DERIVATIVES Integro Theranostics, LLC (US) 2026-03-18 EP disclosed
WO-2024233672-A1 LYOPHILIZED PRODUCTS, PHARMACEUTICAL COMPOSITIONS, AND KITS COMPRISING DYE-PEPTIDE CONJUGATES AND DERIVATIVES INTEGRO THERANOSTICS, LLC (US) 2024-11-14 WO disclosed
WO-2024112201-A1 DNA GYRASE INHIBITORS UNIVERSITEIT LEIDEN (NL) 2024-05-30 WO disclosed
EP-4323017-A1 FOLATE RECEPTOR-TARGETED RADIOTHERAPEUTIC AGENTS AND THEIR USE Novartis AG (CH) 2024-02-21 EP disclosed
CN-117083088-A Folate receptor targeted radiotherapy agent and use thereof 诺华股份有限公司 2023-11-17 CN disclosed
WO-2023072971-A2 GASTRIC INHIBITORY PEPTIDE RECEPTOR LIGANDS 3B PHARMACEUTICALS GMBH (DE) 2023-05-04 WO disclosed
EP-4170347-A1 GASTRIC INHIBITORY PEPTIDE RECEPTOR LIGANDS 3B Pharmaceuticals GmbH (DE) 2023-04-26 EP disclosed
US-20230040236-A1 Diamine-Linked Melanocortin Receptor-Specific Cyclic Peptides for Ocular Indications PALATIN TECHNOLOGIES, INC. (US) 2023-02-09 US disclosed
CN-115551555-A Methods, compounds, and compositions for modifying CAR-T cell activity 普渡研究基金会 2022-12-30 CN disclosed
CN-115515617-A Diamine-linked receptor-specific cyclic peptides 帕拉丁科技公司 2022-12-23 CN disclosed
WO-2001098278-A1 METHODS AND COMPOSITIONS UTILIZING QUINAZOLINONES CYTOKINETICS, INC. (US) 2001-12-27 WO disclosed
WO-2001096343-A1 SUBSTITUTED METAL-PHTHALOCYANINES, THEIR PREPARATION AND THE USE THEREOF L. MOLTENI & C. DEI FRATELLI ALITTI - SOCIETÀ DI ESERCIZIO S.P.A. (IT) 2001-12-20 WO disclosed
EP-1164135-A1 Substituted metal-phthalocyanines, their preparation and the use thereof L. MOLTENI & C. DEI FRATELLI ALITTI SOCIETA' DI ESERCIZIO SOCIETA' PER AZIONI (IT) 2001-12-19 EP disclosed
WO-2001052898-A1 METHODS FOR INCORPORATING METAL CHELATORS AT CARBOXYL-TERMINAL SITE OF PEPTIDES MALLINCKRODT INC. (US) 2001-07-26 WO disclosed
WO-2001030768-A1 METHODS AND COMPOSITIONS UTILIZING QUINAZOLINONES CYTOKINETICS, INC. (US) 2001-05-03 WO disclosed
EP-0983290-A1 METHOD FOR PRODUCING POLYMERS HAVING NUCLEO-BASES AS SIDE-GROUPS Morphochem AG (DE) 2000-03-08 EP disclosed
US-5965598-A PHOTOTHERAPEUTIC AND PHOTODIAGNOSTIC AGENTS AS FREE MOLECULES AND AS CONJUGATES WITH MACROMOLECULAR CARRIER MOLECULES MOLTENI L. & C. DEI FRATELLI ALITTI SOCIETA DI ESERCIZIO S.P.A. (IT) 1999-10-12 US disclosed
EP-0906758-A1 Zinc-phthalocyanines and corresponding conjugates, their preparation and use in photodynamic therapy and as diagnostic agents MOLTENI L. & C. dei Fratelli Alitti Società di Esercizio S.P.A. (IT) 1999-04-07 EP disclosed
WO-1999004895-A1 COMPOSITIONS FOR THE STORAGE AND DELIVERY OF SOLID PHASE REACTIVE PARTICLES AND METHODS OF USING THE SAME ARGONAUT TECHNOLOGIES, INC. (US) 1999-02-04 WO disclosed
WO-1998051697-A2 METHOD FOR PRODUCING POLYMERS HAVING NUCLEO-BASES AS SIDE-GROUPS MORPHOCHEM AG (DE) 1998-11-19 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-20230040236-A1 Diamine-Linked Melanocortin Receptor-Specific Cyclic Peptides for Ocular Indications MC1R, MC3R, MC5R TAAR1 107/4885KDM4E 4794/4885LMNA 3691/4885

“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.