SCHEMBL6094319

SCHEMBL6094319

O=C(Nc1ccc(OCCCc2ccncc2)nc1)c1c[nH]c2c1C(=O)CCC2

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 11/20 0.40
NOX1 Q9Y5S8 1/20 0.39
HTR2A P28223 1/20 0.36
HTR2B P41595 1/20 0.36
KDR P35968 1/20 0.35
BUB1 O43683 3/20 0.35
NAMPT P43490 1/20 0.34
CLK2 P49760 1/20 0.34
DYRK1A Q13627 1/20 0.34
CD38 P28907 1/20 0.34
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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) HTR2CHTR2BCLK2DYRK1A
SCHEMBL8258169 0.89 HTR2C (0.37) HTR2CHTR2AHTR2BBUB1NAMPT
SCHEMBL6092499 0.87 HTR2C (0.53) HTR2CHTR2AHTR2BBUB1
SCHEMBL8251851 0.86 HTR2C (0.43) HTR2CBUB1CLK2DYRK1A
SCHEMBL6091806 0.83 HTR2C (0.53) HTR2CHTR2AHTR2BBUB1
SCHEMBL8258291 0.82 HTR2C (0.46) HTR2CHTR2B
SCHEMBL8584124 0.81 KMT2A (0.45) HTR2CMAPTSMN1; SMN2
SCHEMBL6093576 0.81 HTR2C (0.38) HTR2CBUB1CLK2DYRK1AMAPT
SCHEMBL6094099 0.80 HTR2C (0.39) HTR2CBUB1CLK2DYRK1ACD38
SCHEMBL7384705 0.79 BUB1 (0.43) BUB1NAMPT

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 227/4885NOX1 4507/4885HTR2A 206/4885

“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.