SCHEMBL2908485

SCHEMBL2908485

OCCNC(c1ccc(-c2ccc3c(c2)OCCO3)cc1)c1c[nH]nc1-c1ccco1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.36
MAPT P10636 7/20 0.35
GAA P10253 4/20 0.35
PDCD1 Q15116 4/20 0.35
CD274 Q9NZQ7 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
SIRT1 Q96EB6 1/20 0.35
KDM4E B2RXH2 5/20 0.35
ALDH1A1 P00352 5/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
HSP90AA1 P07900 1/20 0.34
POLB P06746 3/20 0.34
HPGD P15428 3/20 0.34
ALOX15 P16050 2/20 0.34
HSD17B10 Q99714 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
TP53 P04637 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL2906827 0.84 AKT1 (0.40) AKT1MAPTGAASMN1; SMN2KDM4E
SCHEMBL2901868 0.84 PIK3R1 (0.39) AKT1MAPTKDM4EALDH1A1MEN1
SCHEMBL2901811 0.82 AKT1 (0.39) AKT1MAPTGAASMN1; SMN2KDM4E
SCHEMBL2905003 0.76 SIRT1 (0.38) MAPTGAACD274SMN1; SMN2SIRT1
SCHEMBL2904802 0.76 P4HB (0.38) MAPTGAAPDCD1CD274SMN1; SMN2
SCHEMBL2908342 0.75 ITGB2 (0.38) MAPTGAAPDCD1CD274SMN1; SMN2
SCHEMBL2907051 0.74 ALDH1A1 (0.41) MAPTGAASMN1; SMN2SIRT1KDM4E
SCHEMBL2909115 0.72 PTK2 (0.36) MAPTGAASMN1; SMN2SIRT1KDM4E
SCHEMBL2904850 0.72 NTRK1 (0.34) MAPTGAASMN1; SMN2SIRT1KDM4E
SCHEMBL2901687 0.72 TSHR (0.38) MAPTGAASMN1; SMN2SIRT1KDM4E

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
EP-1611107-B1 1,3,4-SUBSTITUTED PYRAZOLES FOR USE AS 5-HT RECEPTOR ANTAGONISTS IN THE TREATMENT OF PSYCHOSES AND NEUROLOGICAL DISORDERS MERCK PATENT GMBH (DE) 2010-08-18 EP claimed
EP-1611107-B1 1,3,4-SUBSTITUTED PYRAZOLES FOR USE AS 5-HT RECEPTOR ANTAGONISTS IN THE TREATMENT OF PSYCHOSES AND NEUROLOGICAL DISORDERS MERCK PATENT GMBH (DE) 2010-08-18 EP disclosed
US-7566709-B2 1,3,4-Substituted pyrazoles as 5-HT receptor antagonists for the treatment of psychoses and neurological disorders MERCK PATENT GMBH (DE) 2009-07-28 US disclosed
US-20070105871-A1 1,3,4-Substituted pyrazoles as 5-ht receptor antagonists for the treatment of psychoses and neurological disorders MERCK PATENT GMBH (DE) 2007-05-10 US 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-20070105871-A1 1,3,4-Substituted pyrazoles as 5-ht receptor antagonists for the treatment of psychoses and neurological disorders HTR1A, HTR1D, HTR5A AKT1 4108/4885MAPT 1204/4885GAA 3375/4885

“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.