SCHEMBL9911347

SCHEMBL9911347

CC(C)NCc1ccc[n+]([O-])c1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 15/20 0.43
NAMPT P43490 2/20 0.39
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL9911532 0.83 GPR84 (0.48) GPR84SIGMAR1
SCHEMBL9911481 0.77 SIGMAR1 (0.38) SIGMAR1
SCHEMBL14194715 0.76 GPR84 (0.50) GPR84NAMPT
SCHEMBL13741192 0.76 GPR84 (0.46) GPR84
SCHEMBL28551561 0.73 L3MBTL1 (0.44) GPR84
SCHEMBL1026110 0.72
SCHEMBL7759553 0.72 NAMPT (0.46) GPR84NAMPT
SCHEMBL143708 0.72 SIGMAR1 (0.65) SIGMAR1
SCHEMBL22899588 0.72 SIGMAR1 (0.65) SIGMAR1
SCHEMBL17507858 0.70 NAMPT (0.53) GPR84NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198458-B2 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-12 US disclosed
US-20090143370-A1 Non-nucleoside Reverse Transcriptase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-04 US disclosed
US-7517998-B2 Benzothiazole or benzothiazine derivative of dipyrido(2,3;b:2',3'-e) diazepin-6-one; viricide against human t-cell leukemia/lymphoma virus BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2009-04-14 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-20090143370-A1 Non-nucleoside Reverse Transcriptase Inhibitors RTF1, POLR1A, POLR1E GPR84 1981/4885NAMPT 253/4885SIGMAR1 303/4885

“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.