SCHEMBL23914746

SCHEMBL23914746

O=C(O)Cc1nn(C2CCC2)c(=O)c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.56
POLB P06746 1/20 0.54
ABCB1 P08183 2/20 0.53
ADRA1A P35348 4/20 0.52
HRH1 P35367 4/20 0.52
ADRA1B P35368 4/20 0.52
ADRA2A P08913 2/20 0.52
CHRM1 P11229 2/20 0.52
ADRA2B P18089 2/20 0.52
HTR2A P28223 2/20 0.52
DRD3 P35462 2/20 0.52
HRH3 Q9Y5N1 2/20 0.52
OPRM1 P35372 2/20 0.52
CHRM2 P08172 1/20 0.52
ADRB1 P08588 1/20 0.52
CYP2D6 P10635 1/20 0.52
GABRA1 P14867 1/20 0.52
ADRA2C P18825 1/20 0.52
SLC6A2 P23975 1/20 0.52
HTR2C P28335 1/20 0.52

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
SCHEMBL23915516 0.97 MAPT (0.56) MAPTPOLBABCB1ADRA1AHRH1
SCHEMBL23909085 0.94 MAPT (0.58) MAPTPOLBABCB1ADRA1AHRH1
SCHEMBL23915509 0.82 SMN1; SMN2 (0.52) MAPTABCB1ADRA1AHRH1ADRA1B
SCHEMBL23914636 0.80 SMN1; SMN2 (0.50) MAPTPOLBABCB1ADRA1AHRH1
SCHEMBL23913685 0.79 MAPT (0.64) MAPTPOLBHRH1HRH3AKR1B1
SCHEMBL23914926 0.77 MAPT (0.48) MAPTPOLBSMN1; SMN2LMNAAKR1B1
SCHEMBL23909121 0.76 NPC1 (0.47) MAPTPOLBADRA1AHRH1ADRA1B
SCHEMBL23915524 0.76 MAPT (0.67) MAPTPOLBAKR1B1TSHRKMT2A
SCHEMBL23966505 0.74 MAPT (0.43) MAPTPOLBABCB1ADRA1AHRH1
SCHEMBL22721898 0.74 ABCB1 (0.47) ABCB1ADRA1AHRH1ADRA1BADRA2A

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
EP-3649119-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2021-11-03 EP disclosed
US-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GILEAD SCIENCES, INC. 2021-10-14 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-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS S1PR1, S1PR3, S1PR2 MAPT 4876/4885POLB 3606/4885ABCB1 1545/4885

“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.