SCHEMBL8258291

SCHEMBL8258291

O=C(Nc1ccc(OCc2cccnc2)nc1)c1c[nH]c2c1C(=O)CCC2

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.46
HTR2B P41595 1/20 0.46
SGMS2 Q8NHU3 4/20 0.45
BRD4 O60885 1/20 0.42
LRRK2 Q5S007 4/20 0.41
GRM4 Q14833 1/20 0.39
MET P08581 1/20 0.39
CXCR1 P25024 1/20 0.39
CXCR2 P25025 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL6092227 0.91 HTR2C (0.44) HTR2CHTR2BSGMS2CXCR1CXCR2
SCHEMBL6092190 0.84 BUB1 (0.47) HTR2CSGMS2RAB9A
SCHEMBL6095988 0.83 BRD4 (0.45) SGMS2BRD4LRRK2MET
SCHEMBL7386449 0.83 ALDH1A1 (0.48) RAB9A
SCHEMBL6094319 0.82 HTR2C (0.40) HTR2CHTR2B
Hydrochloric Acid SCHEMBL6093261 0.82 BRD4 (0.44) SGMS2BRD4LRRK2MET
SCHEMBL8251851 0.82 HTR2C (0.43) HTR2CCXCR1CXCR2
SCHEMBL6110572 0.82 HTR2C (0.42) HTR2CHTR2BRAB9A
SCHEMBL6094134 0.81 BRD4 (0.43) SGMS2BRD4LRRK2MET
SCHEMBL8584124 0.81 KMT2A (0.45) HTR2CRAB9A

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-20030153754-A1 Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands NEUROGEN CORPORATION, A CORPORATION OF THE STATE OF DELAWARE 2003-08-14 US disclosed
US-20030153754-A1 Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands NEUROGEN CORPORATION, A CORPORATION OF THE STATE OF DELAWARE 2003-08-14 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-20030153754-A1 Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands GABRB1, GABRB3, GABRB2 HTR2C 261/4885HTR2B 153/4885SGMS2 4628/4885

“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.