SCHEMBL2904802

SCHEMBL2904802

c1coc(-c2n[nH]cc2C(c2ccc(-c3ccc4c(c3)OCCO4)cc2)N2CCNCC2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HB P07237 2/20 0.38
SIRT1 Q96EB6 2/20 0.37
OPRD1 P41143 2/20 0.37
PTK2 Q05397 1/20 0.36
TGFBR1 P36897 1/20 0.35
ACVR1 Q04771 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
GAA P10253 4/20 0.34
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 2/20 0.34
PKM P14618 2/20 0.34
HPGD P15428 2/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 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
SCHEMBL2905003 0.92 SIRT1 (0.38) P4HBSIRT1PTK2MEN1KMT2A
SCHEMBL2907051 0.87 ALDH1A1 (0.41) SIRT1PTK2MEN1KMT2AGAA
SCHEMBL2909115 0.87 PTK2 (0.36) P4HBSIRT1PTK2MEN1KMT2A
SCHEMBL2901687 0.86 TSHR (0.38) P4HBSIRT1PTK2MEN1KMT2A
SCHEMBL2908342 0.86 ITGB2 (0.38) P4HBSIRT1PTK2MEN1KMT2A
SCHEMBL2904844 0.85 OPRD1 (0.40) P4HBOPRD1MEN1KMT2APOLB
SCHEMBL2907701 0.85 ALDH1A1 (0.40) P4HBSIRT1MEN1KMT2AGAA
SCHEMBL2903067 0.84 OPRD1 (0.37) P4HBOPRD1MEN1KMT2AHRH1
Morpholine SCHEMBL2905731 0.83 OPRD1 (0.35) P4HBOPRD1TP53POLBMAPT
SCHEMBL2905924 0.83 OPRD1 (0.40) P4HBOPRD1MEN1KMT2AALDH1A1

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 P4HB 4026/4885SIRT1 2198/4885OPRD1 104/4885

“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.