SCHEMBL16600284

SCHEMBL16600284

O=C(C1CC12CCNCC2)N1CCCC1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 16/20 0.68
KCNH2 Q12809 1/20 0.50
CA2 P00918 1/20 0.41
CHKA P35790 1/20 0.41
CHRNB2 P17787 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
CHRNB3 Q05901 1/20 0.40
CHRNA6 Q15825 1/20 0.40
HPGD P15428 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 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
SCHEMBL30233086 0.85 HRH3 (0.59) HRH3KCNH2CA2CHKACHRNB2
SCHEMBL2829052 0.85 HRH3 (0.63) HRH3KCNH2
SCHEMBL8176884 0.85 HRH3 (0.63) HRH3KCNH2CHRNB2CHRNA3CHRNA4
SCHEMBL2798402 0.83 HRH3 (0.92) HRH3KCNH2
SCHEMBL24433453 0.82 HRH3 (0.86) HRH3KCNH2
SCHEMBL2798303 0.82 HRH3 (1.00) HRH3KCNH2
SCHEMBL13232434 0.80 HRH3 (0.58) HRH3KCNH2CHRNB2CHRNA3CHRNA4
SCHEMBL8173191 0.78 HRH3 (0.52) HRH3KCNH2CHRNB2CHRNA3CHRNA4
SCHEMBL3262640 0.78 HRH3 (0.90) HRH3KCNH2
SCHEMBL2799922 0.78 HRH3 (0.55) HRH3KCNH2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9850203-B2 Autotaxin inhibitor compounds PHARMAKEA, INC. (US) 2017-12-26 US disclosed
EP-3049405-A1 AUTOTAXIN INHIBITOR COMPOUNDS Pharmakea Inc. (US) 2016-08-03 EP disclosed
US-20160214935-A1 AUTOTAXIN INHIBITOR COMPOUNDS DF 2024 IP ACQUISITION, LLC 2016-07-28 US disclosed
WO-2015048301-A1 AUTOTAXIN INHIBITOR COMPOUNDS PHARMAKEA, INC. (US) 2015-04-02 WO 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-20160214935-A1 AUTOTAXIN INHIBITOR COMPOUNDS ENPP2, SERPINB1, SERPINE1 HRH3 2630/4885KCNH2 4742/4885CA2 2263/4885

“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.