SCHEMBL3367523

SCHEMBL3367523

CC(c1ccccc1)C(C)(N)O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 1/20 0.45
▸ ADRA2C P18825 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.43
▸ SLC6A4 P31645 2/20 0.42
▸ AOC3 Q16853 2/20 0.42
▸ TAAR1 Q96RJ0 3/20 0.41
▸ RIPK1 Q13546 2/20 0.41
▸ SLC6A2 P23975 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.40
▸ NOS2 P35228 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ DPP4 P27487 2/20 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
Pentorex SCHEMBL160519 0.81 TAAR1 (0.44) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL1911099 0.81 SLC6A4 (0.45) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL1471159 0.81 SLC6A4 (0.45) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL11968994 0.81 TAAR1 (0.44) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL12574668 0.81 SLC6A4 (0.45) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL2032641 0.78 CYP2D6 (0.50) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL28024684 0.78 CYP2D6 (0.46) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL2031549 0.78 CYP2D6 (0.50) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL9360478 0.77 RIPK1 (0.45) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL21740964 0.77 SLC6A4 (0.42) ADRA2AADRA2CLMNAHIF1AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9724276-B2 Dental materials and method of manufacture VALSPAR SOURCING, INC. (US) 2017-08-08 — — US disclosed
US-20150224034-A1 DENTAL MATERIALS AND METHOD OF MANUFACTURE VALSPAR SOURCING, INC. 2015-08-13 — — US disclosed
EP-2882401-A1 DENTAL MATERIALS AND METHOD OF MANUFACTURE Valspar Sourcing, Inc. (US) 2015-06-17 — — EP disclosed
WO-2014025406-A1 DENTAL MATERIALS AND METHOD OF MANUFACTURE VALSPAR SOURCING, INC. (US) 2014-02-13 — — WO disclosed
US-20100152219-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES ASTRAZENECA R&D (SE) 2010-06-17 — — US disclosed
US-20070142413-A1 Pyrazole derivatives as inhibitors of receptor tyrosone kinases ASTRAZENECA AB (SE) 2007-06-21 — — 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 (3 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-20100152219-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES LTK, ERBB2, ERBB3 ADRA2A 1798/4885ADRA2C 1082/4885LMNA 4476/4885
US-20070142413-A1 Pyrazole derivatives as inhibitors of receptor tyrosone kinases PRKDC, MUSK, LTK ADRA2A 1446/4885ADRA2C 956/4885LMNA 4357/4885
US-20150224034-A1 DENTAL MATERIALS AND METHOD OF MANUFACTURE ESR1, FHIT, ESR2 ADRA2A 2797/4885ADRA2C 3171/4885LMNA 1065/4885

“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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