Sugi Predict

Sugi Predict / Compounds / SCHEMBL3322929

SCHEMBL3322929

SCHEMBL3322929

Cc1nc(-c2ccc(OCCCN3CCCC3C)c(Br)c2)sc1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 9/20 0.58
▸ PPARD Q03181 3/20 0.46
▸ PPARA Q07869 3/20 0.46
▸ HTR3A P46098 3/20 0.45
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ XDH P47989 2/20 0.43
▸ ABCC4 O15439 1/20 0.43
▸ ABCB11 O95342 1/20 0.43
▸ PGR P06401 1/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ PDE4A P27815 1/20 0.43
▸ BLVRB P30043 1/20 0.43
▸ TARBP2 Q15633 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ ABCG2 Q9UNQ0 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HTT P42858 1/20 0.43

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
SCHEMBL3074306 0.92 HRH3 (0.57) HRH3HTR3AKDM4EALDH1A1SMN1; SMN2
SCHEMBL3328830 0.86 HRH3 (0.76) HRH3PPARDPPARAHTR3ATARBP2
SCHEMBL3078832 0.77 HRH3 (0.74) HRH3HTR3A
SCHEMBL8868565 0.77 XDH (0.51) PPARDPPARAKDM4EALDH1A1XDH
SCHEMBL8867933 0.74 XDH (0.72) KDM4EALDH1A1XDHABCC4ABCB11
SCHEMBL3073810 0.73 HRH3 (1.00) HRH3HTR3ACHRM1
SCHEMBL3061580 0.73 HRH3 (1.00) HRH3HTR3ACHRM1
SCHEMBL3066226 0.73 HRH3 (1.00) HRH3HTR3ACHRM1
SCHEMBL3067604 0.73 HRH3 (0.81) HRH3PPARDPPARAHTR3ACHRM1
SCHEMBL3402383 0.72 HSD17B10 (0.51) HRH3KDM4ESMN1; SMN2

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-20150011759-A1 PROCESSES FOR PREPARING (R)-2-METHYLPYRROLIDINE AND (S)-2-METHYLPYRROLIDINE AND TARTRATE SALTS THEREOF CEPHALON, INC. (US) 2015-01-08 — — US disclosed
US-20100121055-A1 PROCESSES FOR PREPARING (R)-2-METHYLPYRROLIDINE AND (S)-2-METHYLPYRROLIDINE AND TARTRATE SALTS THEREOF CEPHALON, INC. (US) 2010-05-13 — — US disclosed
EP-2152669-A1 PROCESSES FOR PREPARING (R)-2-METHYLPYRROLIDINE AND (S)-2-METHYLPYRROLIDINE AND TARTRATE SALTS THEREOF Cephalon, Inc. (US) 2010-02-17 — — EP disclosed
WO-2008137087-A1 PROCESSES FOR PREPARING (R)-2-METHYLPYRROLIDINE AND (S)-2-METHYLPYRROLIDINE AND TARTRATE SALTS THEREOF CEPHALON, INC. (US) 2008-11-13 — — 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-20150011759-A1 PROCESSES FOR PREPARING (R)-2-METHYLPYRROLIDINE AND (S)-2-METHYLPYRROLIDINE AND TARTRATE SALTS THEREOF TPMT, SPR, QDPR HRH3 1100/4885PPARD 2421/4885PPARA 3337/4885
US-20100121055-A1 PROCESSES FOR PREPARING (R)-2-METHYLPYRROLIDINE AND (S)-2-METHYLPYRROLIDINE AND TARTRATE SALTS THEREOF TPMT, SPR, QDPR HRH3 1100/4885PPARD 2421/4885PPARA 3337/4885

“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.