SCHEMBL15214043

SCHEMBL15214043

CC(C)CC(c1ccccc1)c1ccccn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.58
SLC6A4 P31645 6/20 0.58
CHRM2 P08172 5/20 0.58
SCN1A P35498 3/20 0.58
SCN2A Q99250 3/20 0.58
SCN3A Q9NY46 3/20 0.58
SLC6A3 Q01959 5/20 0.55
ALDH1A1 P00352 3/20 0.50
CYP1A2 P05177 1/20 0.49
TSHR P16473 3/20 0.49
LMNA P02545 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
KDM4E B2RXH2 1/20 0.48
RAB9A P51151 1/20 0.48
KCNH2 Q12809 5/20 0.48
CHRM1 P11229 4/20 0.48
HRH1 P35367 4/20 0.48
HRH3 Q9Y5N1 4/20 0.48
ADRA2B P18089 3/20 0.48

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
Ammonia Solution, Strong SCHEMBL29071811 0.98 SLC6A2 (0.57) SLC6A2SLC6A4CHRM2SCN1ASCN2A
SCHEMBL17071880 0.81 SLC6A2 (0.67) SLC6A2SLC6A4CHRM2SCN1ASCN2A
SCHEMBL290075 0.81 SLC6A2 (0.67) SLC6A2SLC6A4CHRM2SCN1ASCN2A
SCHEMBL23689568 0.79 TSHR (0.48) SLC6A2SLC6A4CHRM2SCN1ASCN2A
SCHEMBL10203032 0.79 TSHR (0.48) SLC6A2SLC6A4CHRM2SCN1ASCN2A
SCHEMBL9493121 0.77 HRH1 (0.54) SLC6A2SLC6A4CHRM2SLC6A3ALDH1A1
SCHEMBL11599476 0.77 SLC6A2 (0.59) SLC6A2SLC6A4CHRM2SCN1ASCN2A
SCHEMBL6377512 0.77 SLC6A2 (0.59) SLC6A2SLC6A4CHRM2SCN1ASCN2A
SCHEMBL1422822 0.77 SLC6A2 (0.59) SLC6A2SLC6A4CHRM2SCN1ASCN2A
SCHEMBL4796436 0.77 SLC6A2 (0.59) SLC6A2SLC6A4CHRM2SCN1ASCN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10233156-B2 9-membered fused ring derivative SHIONOGI & CO., LTD. (JP) 2019-03-19 US disclosed
US-9579325-B2 Modulators of TNF-α signaling GENZYME CORPORATION (US) 2017-02-28 US disclosed
US-9579325-B2 Modulators of TNF-α signaling GENZYME CORPORATION (US) 2017-02-28 US disclosed
US-20150126512-A1 Modulators Of TNF-Alpha Signaling GENZYME CORPORATION (US) 2015-05-07 US disclosed
US-8921547-B2 Modulators of TNF-α signaling GENZYME CORPORATION (US) 2014-12-30 US disclosed
US-20130310388-A1 Modulators of TNF-Alpha Signaling GENZYME CORPORATION (US) 2013-11-21 US disclosed
US-8518999-B2 Modulators of TNF-αsignaling GENZYME CORPORATION (US) 2013-08-27 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 (3 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-20150126512-A1 Modulators Of TNF-Alpha Signaling TNF, TNFRSF1A, TNFRSF9 SLC6A2 3922/4885SLC6A4 4110/4885CHRM2 1547/4885
US-10233156-B2 9-membered fused ring derivative AGTR2, ACSS2, ACSL3 SLC6A2 1663/4885SLC6A4 3177/4885CHRM2 158/4885
US-20130310388-A1 Modulators of TNF-Alpha Signaling TNF, TNFRSF1A, TNFRSF9 SLC6A2 3922/4885SLC6A4 4110/4885CHRM2 1547/4885

“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.