SCHEMBL1989554

SCHEMBL1989554

CN1CCC(n2nc(CC(N)=O)c3ccccc32)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 3/20 0.47
HRH1 P35367 3/20 0.47
ADRA1B P35368 3/20 0.47
HRH3 Q9Y5N1 2/20 0.47
ADRA2A P08913 2/20 0.44
CHRM1 P11229 2/20 0.44
ADRA2B P18089 2/20 0.44
HTR2A P28223 2/20 0.44
DRD3 P35462 2/20 0.44
CHRM2 P08172 1/20 0.44
ABCB1 P08183 1/20 0.44
ADRB1 P08588 1/20 0.44
CYP2D6 P10635 1/20 0.44
GABRA1 P14867 1/20 0.44
ADRA2C P18825 1/20 0.44
SLC6A2 P23975 1/20 0.44
HTR2C P28335 1/20 0.44
SLC6A4 P31645 1/20 0.44
OPRM1 P35372 1/20 0.44
HTR2B P41595 1/20 0.44

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
SCHEMBL1996095 0.86 PTGDR2 (0.42) PTGDR2MEN1ALDH1A1KMT2APARP1
SCHEMBL12564065 0.84 ABCB1 (0.43) ABCB1HTR6PTGDR2MEN1ALDH1A1
SCHEMBL1993220 0.83 PTGDR2 (0.41) PTGDR2
SCHEMBL1993222 0.83 PTGDR2 (0.41) PTGDR2
Hydrochloric Acid SCHEMBL1991841 0.82 ABCB1 (0.43) ABCB1HTR6PTGDR2MEN1ALDH1A1
SCHEMBL1990506 0.82 CHRM2 (0.47) CHRM1CHRM2OPRM1SMN1; SMN2LMNA
SCHEMBL1993250 0.82 ROCK2 (0.50) ADRA1AHRH1ADRA1BHRH3MEN1
SCHEMBL1990851 0.80 POLB (0.39) HTR2ACYP2D6KCNH2LMNACYP3A4
SCHEMBL2588997 0.77 KDM4E (0.46) SMN1; SMN2LMNAMEN1ALDH1A1KMT2A
SCHEMBL13135674 0.76 SMN1; SMN2 (0.46) ADRA1AHRH1ADRA1BHRH3ADRA2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011079105-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-30 WO disclosed
WO-2011079105-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-30 WO disclosed
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-23 US disclosed
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-23 US disclosed
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-23 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-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS TPMT, TSLP, THPO ADRA1A 272/4885HRH1 384/4885ADRA1B 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.