SCHEMBL20553483

SCHEMBL20553483

CC(O)C(Oc1ccccc1)N(C)c1cccc(CN)c1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 4/20 0.38
▸ SLC6A4 P31645 4/20 0.38
▸ CETP P11597 5/20 0.36
▸ LOXL2 Q9Y4K0 3/20 0.36
▸ PLG P00747 1/20 0.35
▸ PLAU P00749 1/20 0.35
▸ SIGMAR1 Q99720 3/20 0.34
▸ ENPP2 Q13822 1/20 0.34
▸ CFD P00746 1/20 0.34
▸ ACHE P22303 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
SCHEMBL20553480 0.71 HIF1A (0.50) CETP
SCHEMBL6027885 0.70 SMN1; SMN2 (0.46) SLC6A2SLC6A4SIGMAR1
SCHEMBL303475 0.67 ENPP2 (0.43) CETPLOXL2SIGMAR1ENPP2
SCHEMBL348900 0.67 ALDH1A1 (0.48) LOXL2ENPP2
SCHEMBL31662833 0.67 ALDH1A1 (0.48) LOXL2ENPP2
Benzylamine SCHEMBL5802700 0.66 LOXL2 (0.67) SLC6A2SLC6A4LOXL2SIGMAR1ENPP2
SCHEMBL756850 0.66 DHFR (0.51) LOXL2ENPP2ACHE
SCHEMBL27851206 0.65 SIGMAR1 (0.46) LOXL2SIGMAR1ENPP2
SCHEMBL16274690 0.65 CRHBP (0.46) LOXL2SIGMAR1ENPP2
Hydrochloric Acid SCHEMBL25180658 0.65 ALDH1A1 (0.47) LOXL2SIGMAR1ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200261442-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF VEPACHEDU SREENIVASARAO (US) 2020-08-20 — — US disclosed
EP-3618819-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF Exciva GmbH (DE) 2020-03-11 — — EP disclosed
US-20200069674-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF Exciva GmbH (DE) 2020-03-05 — — US disclosed
WO-2018204713-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF EXCIVA UG (HAFTUNGSBESCHRÄNKT) (DE) 2018-11-08 — — 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 (2 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-20200069674-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF HTR2A, HTR2C, CYP3A43 SLC6A2 42/4885SLC6A4 68/4885CETP 926/4885
US-20200261442-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF HTR2C, HTR2A, HTR3A SLC6A2 39/4885SLC6A4 55/4885CETP 1156/4885

“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.

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