SCHEMBL4058670

SCHEMBL4058670

Cc1nc2sc3c(c2c(N2CCCCC2)c1C(=O)C1CC1)CCC3

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.48
GPR55 Q9Y2T6 2/20 0.48
ALDH1A1 P00352 6/20 0.42
POLB P06746 2/20 0.42
HTR6 P50406 1/20 0.42
HPGD P15428 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
CASP1 P29466 1/20 0.40
LMNA P02545 1/20 0.40
ALOX15 P16050 1/20 0.40
ACACA Q13085 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
ADORA3 P0DMS8 1/20 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
SCHEMBL4058993 0.81 SMN1; SMN2 (0.47) ALDH1A1POLBSMN1; SMN2NPC1RAB9A
SCHEMBL4057593 0.76 KMT2A (0.53) KMT2A
SCHEMBL4055666 0.74 SMN1; SMN2 (0.49) CNR1GPR55ALDH1A1HPGDSMN1; SMN2
SCHEMBL4055673 0.73 CDKN1A (0.52) ALDH1A1POLBLMNAMEN1KMT2A
SCHEMBL4056213 0.73 ALDH1A1 (0.48) GPR55ALDH1A1POLBHPGDSMN1; SMN2
SCHEMBL4065547 0.72 KMT2A (0.46) KMT2A
SCHEMBL4060204 0.72 KMT2A (0.48) POLBKMT2A
SCHEMBL4056784 0.72 KMT2A (0.48) KMT2A
SCHEMBL4058619 0.71 KMT2A (0.49) POLBKMT2A
SCHEMBL4060366 0.71 CDKN1A (0.52) ALDH1A1LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1828199-B1 THIENO-PYRIDINE DERIVATIVES AS GABA-B ALLOSTERIC ENHANCERS HOFFMANN LA ROCHE (CH) 2009-05-06 EP claimed
US-7390903-B2 Thieno-pyridine derivatives as allosteric enhancers of the GABAB receptors HOFFMANN-LA ROCHE INC. (US) 2008-06-24 US claimed
US-20060135552-A1 Thieno-pyridine derivatives as allosteric enhancers of the GABAB receptors HOFFMANN-LA ROCHE INC. 2006-06-22 US claimed
EP-1828199-B1 THIENO-PYRIDINE DERIVATIVES AS GABA-B ALLOSTERIC ENHANCERS HOFFMANN LA ROCHE (CH) 2009-05-06 EP disclosed
US-7390903-B2 Thieno-pyridine derivatives as allosteric enhancers of the GABAB receptors HOFFMANN-LA ROCHE INC. (US) 2008-06-24 US disclosed
EP-1828199-A1 THIENO-PYRIDINE DERIVATIVES AS GABA-B ALLOSTERIC ENHANCERS F. Hoffmann-Roche AG (CH) 2007-09-05 EP disclosed
US-20060135552-A1 Thieno-pyridine derivatives as allosteric enhancers of the GABAB receptors HOFFMANN-LA ROCHE INC. 2006-06-22 US disclosed
WO-2006063732-A1 THIENO-PYRIDINE DERIVATIVES AS GABA-B ALLOSTERIC ENHANCERS F.HOFFMANN-LA ROCHE AG (CH) 2006-06-22 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-20060135552-A1 Thieno-pyridine derivatives as allosteric enhancers of the GABAB receptors GABBR1, CHRNA5, CHRNA3 CNR1 13/4885GPR55 78/4885ALDH1A1 3097/4885

“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.