SCHEMBL10535014

SCHEMBL10535014

CC(C)NCCC(O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.54
HIF1A Q16665 1/20 0.54
LMNA P02545 2/20 0.52
CYP3A4 P08684 2/20 0.52
HTR1A P08908 2/20 0.52
ADORA3 P0DMS8 2/20 0.52
SLC6A2 P23975 2/20 0.52
SLC6A4 P31645 2/20 0.52
ADRA1A P35348 2/20 0.52
OPRM1 P35372 2/20 0.52
DRD3 P35462 2/20 0.52
SLC6A3 Q01959 2/20 0.52
KCNH2 Q12809 2/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2C19 P33261 2/20 0.52
RIPK1 Q13546 1/20 0.52
CHRM2 P08172 1/20 0.52
ADRA2A P08913 1/20 0.52
CHRM1 P11229 1/20 0.52
SMPD1 P17405 1/20 0.52

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
SCHEMBL12312536 1.00 CYP2D6 (0.54) CYP2D6HIF1ALMNACYP3A4HTR1A
SCHEMBL12312535 1.00 CYP2D6 (0.54) CYP2D6HIF1ALMNACYP3A4HTR1A
SCHEMBL8105954 0.91 RIPK1 (0.50) CYP2D6HIF1ALMNACYP3A4HTR1A
SCHEMBL828538 0.83 HIF1A (0.52) CYP2D6HIF1ALMNACYP3A4HTR1A
SCHEMBL3637320 0.82 KCNH2 (0.74) CYP2D6LMNACYP3A4HTR1AADORA3
SCHEMBL22957657 0.81 GAA (0.54) CYP2D6HIF1ALMNACYP3A4HTR1A
SCHEMBL22957831 0.81 GAA (0.54) CYP2D6HIF1ALMNACYP3A4HTR1A
SCHEMBL9640997 0.81 ADRB2 (0.73) CYP2D6HTR1AADORA3SLC6A2SLC6A4
SCHEMBL25555028 0.80 KDM4E (0.63) ALDH1A1SMN1; SMN2KMT2AKDM4EL3MBTL1
SCHEMBL25555118 0.80 KDM4E (0.63) ALDH1A1SMN1; SMN2KMT2AKDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides ARVINAS OPERATIONS, INC. (US) 2024-07-16 US disclosed
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides ARVINAS OPERATIONS, INC. (US) 2024-07-16 US disclosed
US-9242975-B2 Heterocyclic-substituted pyridyl compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-01-26 US disclosed
US-8987311-B2 Triazolyl-substituted pyridyl compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-03-24 US disclosed
US-20150045347-A1 TRIAZOLYL-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-02-12 US disclosed
US-20150011532-A1 HETEROCYCLIC-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-01-08 US disclosed
US-8263659-B2 Thyroid receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2012-09-11 US disclosed
US-20100298276-A1 THYROID RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY 2010-11-25 US disclosed
EP-0326869-A2 Cycloaliphatic ketones, process for their preparation and their use as perfuming and aromatising ingredients FIRMENICH SA (CH) 1989-08-09 EP 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 (4 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-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides IRAK1, IRAK4, IRAK2 CYP2D6 4827/4885HIF1A 1744/4885LMNA 2696/4885
US-20100298276-A1 THYROID RECEPTOR LIGANDS TSHR, THRA, THRB CYP2D6 2057/4885HIF1A 1781/4885LMNA 4844/4885
US-20150045347-A1 TRIAZOLYL-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE INHIBITORS IRAK4, IRAK3, IRAK1 CYP2D6 4540/4885HIF1A 3618/4885LMNA 2436/4885
US-20150011532-A1 HETEROCYCLIC-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE INHIBITORS IRAK4, IRAK1, IRAK2 CYP2D6 4065/4885HIF1A 4535/4885LMNA 1480/4885

“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.