SCHEMBL6092227

SCHEMBL6092227

O=C(Nc1ccc(OCCCc2cccnc2)nc1)c1c[nH]c2c1C(=O)CCC2

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 10/20 0.44
CHRNA7 P36544 2/20 0.40
CLK2 P49760 1/20 0.39
DYRK1A Q13627 1/20 0.39
SGMS2 Q8NHU3 4/20 0.39
HTR2B P41595 1/20 0.38
CXCR1 P25024 1/20 0.37
CXCR2 P25025 1/20 0.37
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
TNF P01375 1/20 0.36
NOD1 Q9Y239 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GALR3 O60755 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL8258291 0.91 HTR2C (0.46) HTR2CSGMS2HTR2BCXCR1CXCR2
SCHEMBL6094319 0.91 HTR2C (0.40) HTR2CCLK2DYRK1AHTR2B
SCHEMBL6092499 0.86 HTR2C (0.53) HTR2CHTR2B
SCHEMBL8251851 0.84 HTR2C (0.43) HTR2CCLK2DYRK1ACXCR1CXCR2
SCHEMBL6091806 0.83 HTR2C (0.53) HTR2CHTR2B
SCHEMBL6092190 0.82 BUB1 (0.47) HTR2CSGMS2RAB9ANPC1
SCHEMBL8258169 0.82 HTR2C (0.37) HTR2CCLK2DYRK1AHTR2B
SCHEMBL7386449 0.81 ALDH1A1 (0.48) RAB9ANPC1
SCHEMBL8584124 0.79 KMT2A (0.45) HTR2CRAB9ANPC1
SCHEMBL8038852 0.79 ALDH1A1 (0.48) RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7109351-B1 Fused pyrrolecarboxamides; GABA brain receptor ligands NEUROGEN CORPORATION (US) 2006-09-19 US disclosed
US-20050014939-A1 Fused pyrrolecarboxamides: GABA brain receptor ligands NEUROGEN CORPORATION 2005-01-20 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-20050014939-A1 Fused pyrrolecarboxamides: GABA brain receptor ligands GABRB2, GABRB1, GABRB3 HTR2C 227/4885CHRNA7 34/4885CLK2 4185/4885

“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.