SCHEMBL3048550

SCHEMBL3048550

COC(=O)NC1CCc2nc(NC(C)=O)sc2C1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
GSK3B P49841 2/20 0.47
CSNK2A1 P68400 2/20 0.47

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
SCHEMBL1073223 1.00 TSHR (0.51) TSHRNPC1RAB9ASMN1; SMN2GSK3B
SCHEMBL12805601 1.00 TSHR (0.51) TSHRNPC1RAB9ASMN1; SMN2GSK3B
Hydrochloric Acid SCHEMBL3048549 0.99 TSHR (0.50) TSHRNPC1RAB9ASMN1; SMN2GSK3B
Hydrochloric Acid SCHEMBL1073222 0.99 TSHR (0.50) TSHRNPC1RAB9ASMN1; SMN2GSK3B
Hydrochloric Acid SCHEMBL12805598 0.99 TSHR (0.50) TSHRNPC1RAB9ASMN1; SMN2GSK3B
SCHEMBL7312903 0.90 NPC1 (0.54) NPC1RAB9ASMN1; SMN2GSK3BCSNK2A1
SCHEMBL12804717 0.88 GSK3B (0.55) NPC1RAB9ASMN1; SMN2GSK3BCSNK2A1
SCHEMBL1030470 0.88 GSK3B (0.55) NPC1RAB9ASMN1; SMN2GSK3BCSNK2A1
SCHEMBL1029349 0.88 GSK3B (0.55) NPC1RAB9ASMN1; SMN2GSK3BCSNK2A1
SCHEMBL3562146 0.87 NPC1 (0.52) NPC1RAB9ASMN1; SMN2GSK3BCSNK2A1

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-8203002-B2 Intermediates for the preparation of pramipexole DIPHARMA S.P.A. (IT) 2012-06-19 US disclosed
US-20100222595-A1 INTERMEDIATES FOR THE PREPARATION OF PRAMIPEXOLE DIPHARMA S.P.A. (IT) 2010-09-02 US disclosed
US-7741490-B2 Intermediates for the preparation of pramipexole DIPHARMA S.P.A. (IT) 2010-06-22 US disclosed
US-20070191439-A1 Intermediates for the preparation of pramipexole DIPHARMA S.P.A. (IT) 2007-08-16 US disclosed
EP-1730129-A2 INTERMEDIATES FOR THE PREPARATION OF PRAMIPEXOLE Dipharma S.p.A. (IT) 2006-12-13 EP disclosed
WO-2005092871-A2 INTERMEDIATES FOR THE PREPARATION OF PRAMIPEXOLE DIPHARMA S.P.A. (IT) 2005-10-06 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-20100222595-A1 INTERMEDIATES FOR THE PREPARATION OF PRAMIPEXOLE CYP11B2, CYP11B1, CYP4A11 TSHR 2225/4885NPC1 1798/4885RAB9A 3119/4885
US-20070191439-A1 Intermediates for the preparation of pramipexole CYP11B2, CYP11B1, CYP4A11 TSHR 2225/4885NPC1 1798/4885RAB9A 3119/4885

“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.