SCHEMBL5875592

SCHEMBL5875592

Nc1ncc(C2(O)CCN(Cc3ccccc3)CC2)s1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 2/20 0.56
POLB P06746 1/20 0.55
CCR3 P51677 1/20 0.51
CYP3A4 P08684 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ALDH1A1 P00352 3/20 0.46
KMT2A Q03164 2/20 0.43
CHRM2 P08172 1/20 0.43
KDM4E B2RXH2 1/20 0.43
SIGMAR1 Q99720 1/20 0.42
DRD2 P14416 1/20 0.42
KCNH2 Q12809 1/20 0.42
TSHR P16473 2/20 0.42
MEN1 O00255 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HIF1A Q16665 1/20 0.42
CYP2D6 P10635 2/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL5875582 0.84 OPRL1 (0.52) OPRL1POLBCCR3CYP3A4HSD17B10
SCHEMBL8704495 0.73 OPRL1 (0.57) OPRL1POLBCCR3CYP3A4HSD17B10
SCHEMBL1411499 0.73 OPRL1 (1.00) OPRL1POLBCCR3CYP3A4HSD17B10
SCHEMBL15530820 0.72 OPRL1 (0.79) OPRL1POLBCCR3CYP3A4HSD17B10
SCHEMBL10916463 0.72 OPRL1 (0.70) OPRL1POLBCCR3CYP3A4HSD17B10
SCHEMBL3905400 0.71 OPRL1 (0.63) OPRL1POLBCCR3CYP3A4HSD17B10
SCHEMBL3212649 0.71 OPRL1 (0.58) OPRL1POLBCCR3CYP3A4HSD17B10
SCHEMBL28548988 0.70 OPRL1 (0.71) OPRL1POLBCCR3CYP3A4HSD17B10
Hydrochloric Acid SCHEMBL7751618 0.70 POLB (0.64) OPRL1POLBCCR3CYP3A4HSD17B10
SCHEMBL6911078 0.70 OPRL1 (0.71) OPRL1POLBCCR3CYP3A4HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2006504796-A 2006-02-09 JP claimed
EP-1551815-A1 THIAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2005-07-13 EP claimed
US-20040152747-A1 Thiazole compounds for treatment of neurodegenerative disorders PFIZER INC 2004-08-05 US claimed
WO-2004033439-A1 THIAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS INC. (US) 2004-04-22 WO claimed
EP-1551815-A1 THIAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2005-07-13 EP disclosed
US-20040152747-A1 Thiazole compounds for treatment of neurodegenerative disorders PFIZER INC 2004-08-05 US disclosed
WO-2004033439-A1 THIAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS INC. (US) 2004-04-22 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-20040152747-A1 Thiazole compounds for treatment of neurodegenerative disorders APP, PARK7, IAPP OPRL1 679/4885POLB 4524/4885CCR3 3256/4885

“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.