SCHEMBL20737115

SCHEMBL20737115

CN[C@@H]1CCC[C@H](NC)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 3/20 0.41
ADH1C P00326 3/20 0.41
ADH1A P07327 3/20 0.41
ADH7 P40394 2/20 0.41
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ADH4 P08319 1/20 0.33
CHRNB2 P17787 4/20 0.31
CHRNB4 P30926 4/20 0.31
CHRNA3 P32297 4/20 0.31
CHRNA7 P36544 4/20 0.31
CHRNA4 P43681 4/20 0.31
CHRNA1 P02708 3/20 0.31
CHRNG P07510 3/20 0.31
CHRNB1 P11230 3/20 0.31
CHRND Q07001 3/20 0.31
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
PKM P14618 1/20 0.31
NFKB1 P19838 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
SCHEMBL9926873 1.00 ADH1B (0.41) ADH1BADH1CADH1AADH7ALDH1A1
SCHEMBL220372 1.00 ADH1B (0.41) ADH1BADH1CADH1AADH7ALDH1A1
Ammonia Solution, Strong SCHEMBL7567537 0.97 ADH1B (0.39) ADH1BADH1CADH1AADH7ALDH1A1
SCHEMBL331741 0.86
SCHEMBL13866433 0.86
SCHEMBL14671382 0.86
SCHEMBL14444141 0.83
SCHEMBL19914534 0.83 ALDH1A1 (0.35) ADH1BADH1CADH1AADH7ALDH1A1
SCHEMBL18070254 0.83
SCHEMBL14444139 0.83

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-10611755-B2 Aryl substituted pyrimidines for use in influenza virus infection JANSSEN SCIENCES IRELAND UC (IE) 2020-04-07 US disclosed
US-20190047989-A1 ARYL SUBSTITUTED PYRIMIDINES FOR USE IN INFLUENZA VIRUS INFECTION Janssen Sciences Ireland Unlimited Company (IE) 2019-02-14 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 (2 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-10611755-B2 Aryl substituted pyrimidines for use in influenza virus infection HPRT1, TYMP, PNP ADH1B 397/4885ADH1C 1962/4885ADH1A 699/4885
US-20190047989-A1 ARYL SUBSTITUTED PYRIMIDINES FOR USE IN INFLUENZA VIRUS INFECTION HPRT1, TYMP, PNP ADH1B 397/4885ADH1C 1962/4885ADH1A 699/4885

“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.