SCHEMBL4628645

SCHEMBL4628645

CC(CO)NCC(O)c1ccc2ccccc2c1

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.75
MEN1 O00255 1/20 0.75
CYP1A2 P05177 1/20 0.75
TSHR P16473 1/20 0.75
KMT2A Q03164 1/20 0.75
HIF1A Q16665 1/20 0.75
ADRB2 P07550 9/20 0.56
UGT2B7 P16662 1/20 0.53
AOC3 Q16853 1/20 0.50
SLC6A2 P23975 6/20 0.49
SLC6A4 P31645 6/20 0.49
SLC6A3 Q01959 6/20 0.49
KCNH2 Q12809 5/20 0.49
ADRB1 P08588 1/20 0.48
ADRB3 P13945 1/20 0.48
CYP3A4 P08684 1/20 0.48

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
Pronetalol SCHEMBL9666931 0.86 TSHR (1.00) CYP2D6MEN1CYP1A2TSHRKMT2A
Pronetalol SCHEMBL31108442 0.86 TSHR (1.00) CYP2D6MEN1CYP1A2TSHRKMT2A
Pronetalol SCHEMBL78996 0.86 TSHR (1.00) CYP2D6MEN1CYP1A2TSHRKMT2A
Pronetalol SCHEMBL3203560 0.84 TSHR (0.97) CYP2D6MEN1CYP1A2TSHRKMT2A
Pronetalol SCHEMBL10783519 0.84 TSHR (0.97) CYP2D6MEN1CYP1A2TSHRKMT2A
Pronetalol SCHEMBL14973465 0.83 TSHR (0.94) CYP2D6MEN1CYP1A2TSHRKMT2A
SCHEMBL12186584 0.80 KDM4E (0.57) ADRB2AOC3ADRB1ADRB3
SCHEMBL12186577 0.80 KDM4E (0.57) ADRB2AOC3ADRB1ADRB3
SCHEMBL12832485 0.79 CYP2D6 (0.71) CYP2D6MEN1CYP1A2TSHRKMT2A
SCHEMBL2894556 0.78 CYP2D6 (0.59) CYP2D6MEN1CYP1A2TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080306162-A1 Treatment of Inflammatory Disorders and Pain SOSEI R&D LTD. (GB) 2008-12-11 US disclosed
EP-1896393-A1 THE TREATMENT OF INFLAMMATORY DISORDERS AND PAIN Sosei R&D Ltd. (GB) 2008-03-12 EP disclosed
WO-2007003896-A1 THE TREATMENT OF INFLAMMATORY DISORDERS AND PAIN SOSEI R & D LTD. (GB) 2007-01-11 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 (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-20080306162-A1 Treatment of Inflammatory Disorders and Pain HRH3, OPRL1, HRH2 CYP2D6 2783/4885MEN1 4390/4885CYP1A2 2106/4885

“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.