SCHEMBL6480495

SCHEMBL6480495

CC(C)(C)OC(=O)N[C@@H](CO)Cc1ccc(Oc2ncccc2C#N)cc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.50
P2RX3 P56373 4/20 0.42
PDE10A Q9Y233 4/20 0.42
ATM Q13315 1/20 0.42
CTSS P25774 3/20 0.41
CTSK P43235 2/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CYP3A4 P08684 3/20 0.40

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
SCHEMBL6488430 1.00 PTPN1 (0.50) PTPN1P2RX3PDE10AATMCTSS
SCHEMBL6489863 1.00 PTPN1 (0.50) PTPN1P2RX3PDE10AATMCTSS
SCHEMBL6490793 0.90 PTPN1 (0.42) PTPN1ATMCTSSCTSKCTSL
SCHEMBL6490797 0.90 PTPN1 (0.42) PTPN1ATMCTSSCTSKCTSL
SCHEMBL4728627 0.87 PTPN1 (0.64) PTPN1P2RX3CTSSCTSKCTSL
SCHEMBL6479907 0.85 KMT2A (0.50) PTPN1PDE10AATMCYP3A4
SCHEMBL6479900 0.85 KMT2A (0.50) PTPN1PDE10AATMCYP3A4
SCHEMBL6478359 0.85 PDE10A (0.49) PDE10AATM
SCHEMBL6478354 0.85 PDE10A (0.49) PDE10AATM
SCHEMBL6479203 0.84 TDP1 (0.53) PDE10AATM

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-20050043358-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-02-24 US disclosed
US-20020143034-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2002-10-03 US disclosed
EP-1140849-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP disclosed
WO-2000040560-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-13 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-20020143034-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB2, ADRB3 PTPN1 3414/4885P2RX3 1025/4885PDE10A 2174/4885
US-20050043358-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB2, ADRB1, ADRB3 PTPN1 3592/4885P2RX3 363/4885PDE10A 1692/4885

“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.