SCHEMBL7716348

SCHEMBL7716348

c1ccc2sc(C3CCCC[N]3)cc2c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.43
DRD2 P14416 1/20 0.43
SLC6A3 Q01959 3/20 0.38
ALOX5 P09917 1/20 0.38
SLC6A2 P23975 1/20 0.38
SIGMAR1 Q99720 3/20 0.36
CA2 P00918 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
KDM1A O60341 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
CYP2A6 P11509 3/20 0.34
ASIC3 Q9UHC3 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.34
MGLL Q99685 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
SCHEMBL7811779 0.87 SLC6A4 (0.47) SLC6A4DRD2SLC6A3ALOX5SLC6A2
SCHEMBL6752313 0.76 SLC6A4 (0.38) SLC6A4DRD2SLC6A3ALOX5SLC6A2
SCHEMBL5744613 0.76 SLC6A4 (0.38) SLC6A4DRD2SLC6A3ALOX5SLC6A2
SCHEMBL31172103 0.74 SLC6A4 (0.61) SLC6A4DRD2SLC6A3ALOX5SLC6A2
SCHEMBL28359596 0.74 SLC6A4 (0.61) SLC6A4DRD2SLC6A3ALOX5SLC6A2
SCHEMBL4670974 0.73 SLC6A4 (0.54) SLC6A4DRD2SLC6A3ALOX5SLC6A2
SCHEMBL7865136 0.69 SLC6A4 (0.43) SLC6A4DRD2SLC6A3ALOX5SLC6A2
SCHEMBL19393299 0.69 SLC6A4 (0.43) SLC6A4DRD2SLC6A3ALOX5SLC6A2
SCHEMBL1607683 0.68 NOS3 (0.40)
SCHEMBL20172556 0.68 SLC6A4 (0.39) SLC6A4DRD2SLC6A3ALOX5SLC6A2

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
US-6376500-B2 1-(INDOL-3-YLALKYL)ALKYLPIPERIDIN-4 -YL)-3H-QUINOLIN-4-ONE, FOR EXAMPLE; ALPHA1A/ B-RECEPTOR ANTAGONISTS; SIDE EFFECT REDUCTION; UROGENITAL DISORDERS; BENIGN PROSTATIC HYPERTROPHY; ANALGESICS FOR INFLAMMATORY, NEUROPATHY, CANCER, SYNTEX (U.S.A.) LLC 2002-04-23 US disclosed
US-20010051627-A1 Substituted 2-(4-piperidyl)-4(3H)-quinazolinones and 2-(4-piperidyl)- 4(3H)-azaquinazolinones CLARK ROBIN DOUGLAS (US) 2001-12-13 US disclosed
US-6258819-B1 BIOLOGICAL RECEPTORS, ANTIINFLAMMATORY AGENTS, BENIGN PROSTATE AND SIDE EFFECT REDUCTION SYNTEX (U.S.A.) LLC 2001-07-10 US disclosed
WO-2001010860-A2 QUINAZOLINONE AND AZAQUINAZOLINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-02-15 WO 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-20010051627-A1 Substituted 2-(4-piperidyl)-4(3H)-quinazolinones and 2-(4-piperidyl)- 4(3H)-azaquinazolinones ADRA2B, ADRA1D, ADRA1B SLC6A4 678/4885DRD2 361/4885SLC6A3 613/4885

“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.