SCHEMBL6713670

SCHEMBL6713670

c1ccc2c(c1)Cc1cccnc1[N]2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 4/20 0.41
HRH4 Q9H3N8 1/20 0.33
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TSHR P16473 2/20 0.31
MAOA P21397 2/20 0.31
CYP1A2 P05177 2/20 0.31
MAOB P27338 1/20 0.31
CHRM2 P08172 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31
CYP2D6 P10635 1/20 0.31
CHRM1 P11229 1/20 0.31
CYP2C9 P11712 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
DRD1 P21728 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL4758381 0.78 TRPA1 (0.54) TRPA1HRH4ALOX15HSD17B10TSHR
SCHEMBL134931 0.73 CYP1A2 (0.34) MAOACYP1A2CYP19A1TNFBLM
SCHEMBL29420004 0.71 TRPA1 (0.58) TRPA1HRH4ALOX15HSD17B10CYP19A1
SCHEMBL31337933 0.69 TRPA1 (0.56) TRPA1
SCHEMBL6603131 0.69 TRPA1 (0.56) TRPA1
SCHEMBL15618396 0.68 PTPRC (0.38) ALOX15TSHRCYP1A2CYP2D6ALDH1A1
SCHEMBL9203267 0.68 CHRM2 (0.31) TSHRCHRM2HTR1ACHRM1HTR2A
SCHEMBL1847874 0.67 CCNA2 (0.32) HRH4LMNAPOLB
SCHEMBL29354106 0.67 CCNA2 (0.32) HRH4LMNAPOLB
SCHEMBL577689 0.66 TDP1 (0.42) ALOX15HSD17B10TSHRMAOAMAOB

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-20040002498-A1 Tricyclic compounds useful as HIV reverse transcriptase inhibitors JOHNSON BARRY L (US) 2004-01-01 US disclosed
US-6593337-B1 pharmaceutical compositions and diagnostic kits comprising the same, and methods of using the same for treating viral infection or as an assay standard or reagent. BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-07-15 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-20040002498-A1 Tricyclic compounds useful as HIV reverse transcriptase inhibitors POLRMT, TYMP, POLM TRPA1 4729/4885HRH4 2953/4885ALOX15 1696/4885

“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.