SCHEMBL4552971

SCHEMBL4552971

NCCC(N)(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.52
SLC6A2 P23975 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.47
HIF1A Q16665 1/20 0.47
LOXL2 Q9Y4K0 2/20 0.46
HTR2A P28223 2/20 0.46
CYP2A6 P11509 1/20 0.46
KIF11 P52732 5/20 0.44
CYP2D6 P10635 3/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 4/20 0.42
CYP2C19 P33261 3/20 0.42
CYP2C9 P11712 2/20 0.42
TSHR P16473 1/20 0.42
MAOA P21397 1/20 0.41
IDO1 P14902 1/20 0.39
CYP3A4 P08684 1/20 0.39
RECQL P46063 1/20 0.39

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
Hydrochloric Acid SCHEMBL4650598 0.98 TAAR1 (0.50) TAAR1SLC6A2SMN1; SMN2HIF1ALOXL2
SCHEMBL11139644 0.92 TAAR1 (0.45) TAAR1SLC6A2SMN1; SMN2HIF1ALOXL2
SCHEMBL3587753 0.91 TAAR1 (0.48) TAAR1SLC6A2SMN1; SMN2HIF1ALOXL2
SCHEMBL27780720 0.88 TAAR1 (0.45) TAAR1SLC6A2SMN1; SMN2HIF1ALOXL2
SCHEMBL6364468 0.87 KIF11 (0.50) TAAR1SLC6A2SMN1; SMN2HIF1ALOXL2
SCHEMBL7491955 0.85 MAOA (0.52) TAAR1SLC6A2SMN1; SMN2HIF1ALOXL2
SCHEMBL28744986 0.84 MAOA (0.50) TAAR1SLC6A2SMN1; SMN2HIF1ALOXL2
SCHEMBL9182645 0.84 MAOA (0.50) TAAR1SLC6A2SMN1; SMN2HIF1ALOXL2
SCHEMBL27295811 0.84 MAOA (0.50) TAAR1SLC6A2SMN1; SMN2HIF1ALOXL2
SCHEMBL7497898 0.84 MAOA (0.50) TAAR1SLC6A2SMN1; SMN2HIF1ALOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117157281-A Targeted delivery of 1,2,4, 5-tetraoxacompounds and uses thereof 西湖大学 2023-12-01 CN disclosed
CN-115043867-A Hexa-membered cyclic aminosilane external electron donor, preparation method and application thereof 中国科学院化学研究所 2022-09-13 CN disclosed
CN-110194724-B Compound containing diphenylmethane structure and application thereof 广州同隽医药科技有限公司 2021-07-16 CN disclosed
EP-2934533-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2017-11-15 EP disclosed
EP-3164392-A1 DENTAL COMPOSITION Dentsply DeTrey GmbH (DE) 2017-05-10 EP disclosed
US-9573961-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2017-02-21 US disclosed
WO-2016001344-A1 DENTAL COMPOSITION DENTSPLY DETREY GMBH (DE) 2016-01-07 WO disclosed
CN-103459573-B Balanced dynamic mixtures for controlled release of perfuming aldehydes and ketones FIRMENICH S.A. (CH) 2015-11-25 CN disclosed
US-20150329557-A1 Inhibitors of the Renal Outer Medullary Potassium Channel MERCK SHARP & DOHME CORP. (US) 2015-11-19 US disclosed
EP-2934533-A2 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2015-10-28 EP disclosed
WO-2014099633-A2 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2014-06-26 WO disclosed
EP-2114899-A2 CONTROLLED RELEASE OF ACTIVE ALDEHYDES AND KETONES FROM EQUILIBRATED DYNAMIC MIXTURES Firmenich S.A. (CH) 2009-11-11 EP disclosed
CN-100516066-C Compounds for treating impaired fundic relaxation JANSSEN PHARMACEUTICA NV (BE) 2009-07-22 CN disclosed
WO-2008093272-A2 CONTROLLED RELEASE OF ACTIVE ALDEHYDES AND KETONES FROM EQUILIBRATED DYNAMIC MIXTURES FIRMENICH SA (CH) 2008-08-07 WO disclosed
CN-1288157-C Dioxinopyridine compounds for the treatment of impaired fundic relaxation, process for their preparation and their use JANSSEN PHARMACEUTICA NV (BE) 2006-12-06 CN disclosed
CN-1781921-A Compounds for treating impaired fundic relaxation JANSSEN PHARMACEUTICA NV (BE) 2006-06-07 CN disclosed
CN-1437602-A Compounds for treating impaired fundic relaxation JANSSEN PHARMACEUTICA NV (BE) 2003-08-20 CN disclosed
US-5677350-A Inhibition of cancer cell growth, proliferation, and metastasis using N,N'-dα,ω-diaminoalkanes WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1997-10-14 US disclosed
WO-1996040096-A1 INHIBITION OF CANCER CELL GROWTH, PROLIFERATION AND METASTASIS USING N,N'-DIBENZYL-α,φ-DIAMINOALKANES WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1996-12-19 WO disclosed
US-3968298-A Process for imparting to natural keratin-containing material a permanent finish rendering the material resistant to damage by insects CIBA-GEIGY CORPORATION (US) 1976-07-06 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-20150329557-A1 Inhibitors of the Renal Outer Medullary Potassium Channel KCNJ11, KCNJ1, KCNJ2 TAAR1 1091/4885SLC6A2 253/4885SMN1; SMN2 1689/4885

“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.