SCHEMBL7716375

SCHEMBL7716375

Clc1ccc2c(CCBr)c[nH]c2c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.69
SLC6A4 P31645 4/20 0.61
HTR2A P28223 6/20 0.53
TRPM8 Q7Z2W7 1/20 0.53
HTR2C P28335 3/20 0.47
HTR1A P08908 2/20 0.47
HTR2B P41595 2/20 0.47
ADRA2A P08913 1/20 0.47
DRD2 P14416 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
SLC6A2 P23975 1/20 0.47
ADRA1D P25100 1/20 0.47
HTR1D P28221 1/20 0.47
HTR1B P28222 1/20 0.47
HTR1E P28566 1/20 0.47
HTR7 P34969 1/20 0.47
ADRA1A P35348 1/20 0.47
HRH1 P35367 1/20 0.47
ADRA1B P35368 1/20 0.47

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
SCHEMBL7718374 0.86 HTR2A (0.71) GPR84SLC6A4HTR2ATRPM8HTR2C
Tert-Butyl Formate SCHEMBL27916987 0.84 SLC6A4 (0.50) GPR84SLC6A4HTR2ATRPM8HTR2C
SCHEMBL1971111 0.83 HTR2A (0.76) GPR84SLC6A4HTR2ATRPM8HTR2C
SCHEMBL24452687 0.83 GPR84 (0.69) GPR84SLC6A4HTR2ATRPM8HTR2C
SCHEMBL3181757 0.83 GPR84 (0.69) GPR84SLC6A4HTR2ATRPM8HTR2C
SCHEMBL27929621 0.82 GPR84 (1.00) GPR84SLC6A4HTR2ATRPM8ALDH1A1
Hydrochloric Acid SCHEMBL30396693 0.81 HTR2A (0.73) GPR84SLC6A4HTR2ATRPM8HTR2C
Hydrochloric Acid SCHEMBL2537521 0.81 HTR2A (0.73) GPR84SLC6A4HTR2ATRPM8HTR2C
SCHEMBL16540596 0.80 SLC6A4 (0.67) GPR84SLC6A4HTR2ATRPM8HTR2C
SCHEMBL5657225 0.80 SLC6A4 (0.67) GPR84SLC6A4HTR2ATRPM8HTR2C

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 GPR84 269/4885SLC6A4 678/4885HTR2A 126/4885

“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.