SCHEMBL13166873

SCHEMBL13166873

CN(C)CC(O)COc1ccccc1CC(N)=O

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 4/20 0.54
▸ CYP2D6 P10635 2/20 0.54
▸ HTR2A P28223 2/20 0.54
▸ KDM4E B2RXH2 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ HTR1A P08908 1/20 0.49
▸ ADRB2 P07550 1/20 0.48
▸ ADRB1 P08588 1/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ HPGD P15428 1/20 0.46

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
SCHEMBL8703410 0.81 ABCB1 (0.56) ABCB1CYP2D6HTR2AADRB2ADRB1
SCHEMBL10805464 0.78 CYP2D6 (0.74) ABCB1CYP2D6HTR2AHTR1A
SCHEMBL30001633 0.78 CYP2D6 (0.74) ABCB1CYP2D6HTR2AHTR1A
SCHEMBL16727482 0.77 ABCB1 (0.70) ABCB1ADRB2ADRB1
SCHEMBL16727483 0.77 ABCB1 (0.75) ABCB1KDM4ELMNASMN1; SMN2ADRB2
SCHEMBL8702938 0.77 CYP2D6 (0.65) ABCB1CYP2D6HTR2ALMNACYP1A2
Hydrochloric Acid SCHEMBL10806395 0.77 CYP2D6 (0.72) ABCB1CYP2D6HTR2AHTR1A
SCHEMBL8703202 0.76 CYP2D6 (0.58) ABCB1CYP2D6HTR2ALMNAHTR1A
SCHEMBL8706577 0.76 CYP2D6 (0.64) ABCB1CYP2D6HTR2AADRB2ADRB1
Hydrochloric Acid SCHEMBL8703573 0.76 CYP2D6 (0.64) ABCB1CYP2D6HTR2AADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100240650-A1 SUBSTITUTED PYRROLINES AS KINASE INHIBITORS ZHANG HAN-CHENG 2010-09-23 — — US disclosed
US-7759380-B2 Substituted pyrrolines as kinase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2010-07-20 — — US disclosed
US-7608634-B2 Substituted pyrrolines as kinase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2009-10-27 — — US disclosed
EP-1513520-B1 SUBSTITUTED PYRROLINES AS KINASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2008-09-24 — — EP disclosed
US-20070213386-A1 Substituted pyrrolines as kinase inhibitors ZHANG HAN-CHENG 2007-09-13 — — US disclosed
US-20070213387-A1 Substituted pyrrolines as kinase inhibitors ZHANG HAN-CHENG 2007-09-13 — — US disclosed
US-7232906-B2 Substituted pyrrolines as kinase inhibitors JANSSEN PHARMACEUTICA N.V. (BG) 2007-06-19 — — 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-20100240650-A1 SUBSTITUTED PYRROLINES AS KINASE INHIBITORS PRKDC, MAP2K2, TTK ABCB1 3336/4885CYP2D6 4556/4885HTR2A 3965/4885
US-20070213387-A1 Substituted pyrrolines as kinase inhibitors PRKDC, MAP2K2, TTK ABCB1 3336/4885CYP2D6 4556/4885HTR2A 3965/4885
US-20070213386-A1 Substituted pyrrolines as kinase inhibitors PRKDC, MAP2K2, TTK ABCB1 3336/4885CYP2D6 4556/4885HTR2A 3965/4885

“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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