SCHEMBL16399731

SCHEMBL16399731

Cc1nnc([C@@H]2CCCCN2)o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.46
CYP2C19 P33261 3/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP3A4 P08684 1/20 0.46
CHRM2 P08172 3/20 0.41
CHRM4 P08173 2/20 0.41
CHRM5 P08912 2/20 0.41
CHRM1 P11229 2/20 0.41
CHRM3 P20309 2/20 0.41
LMNA P02545 1/20 0.40
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 1/20 0.37
MAPT P10636 1/20 0.37
POLB P06746 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA7 P36544 1/20 0.37

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
SCHEMBL16399734 1.00 CYP1A2 (0.46) CYP1A2CYP2C19CYP2C9CYP2D6CYP3A4
SCHEMBL16399969 0.95 CYP1A2 (0.50) CYP1A2CYP2C19CYP2C9CYP2D6CYP3A4
SCHEMBL16399967 0.95 CYP1A2 (0.50) CYP1A2CYP2C19CYP2C9CYP2D6CYP3A4
SCHEMBL23247961 0.76 CYP2C19 (0.53) CYP1A2CYP2C19CYP2C9CYP2D6CYP3A4
SCHEMBL30515590 0.75 CYP1A2 (0.32) CYP1A2CYP2C19CYP2C9CYP2D6CYP3A4
SCHEMBL21163172 0.75 CYP2C19 (0.45) CYP1A2CYP2C19CYP2C9CYP2D6CYP3A4
SCHEMBL15924181 0.74 CYP1A2 (0.32) CYP1A2CYP2C19CYP2C9CYP2D6CYP3A4
SCHEMBL15924183 0.74 CYP1A2 (0.32) CYP1A2CYP2C19CYP2C9CYP2D6CYP3A4
SCHEMBL24716671 0.74 CYP1A2 (0.32) CYP1A2CYP2C19CYP2C9CYP2D6CYP3A4
SCHEMBL19914300 0.73 CYP1A2 (0.46) CYP1A2CYP2C19CYP2C9CYP2D6CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3022202-B1 AUTOTAXIN INHIBITORS COMPRISING A HETEROAROMATIC RING-BENZYL-AMIDE-CYCLE CORE NOVARTIS AG (CH) 2019-05-15 EP disclosed
EP-3022202-B1 AUTOTAXIN INHIBITORS COMPRISING A HETEROAROMATIC RING-BENZYL-AMIDE-CYCLE CORE NOVARTIS AG (CH) 2019-05-15 EP disclosed
US-10183025-B2 Autotaxin inhibitors NOVARTIS AG (CH) 2019-01-22 US disclosed
US-10183025-B2 Autotaxin inhibitors NOVARTIS AG (CH) 2019-01-22 US disclosed
US-20180021345-A1 AUTOTAXIN INHIBITORS NOVARTIS AG (CH) 2018-01-25 US disclosed
US-20180021345-A1 AUTOTAXIN INHIBITORS NOVARTIS AG (CH) 2018-01-25 US disclosed
US-20180021345-A1 AUTOTAXIN INHIBITORS NOVARTIS AG (CH) 2018-01-25 US disclosed
CN-105555783-B Include the autotaxin inhibitors of heteroaromatic rings benzyl amide ring core 诺华股份有限公司 2017-12-01 CN disclosed
US-9763957-B2 Autotaxin inhibitors NOVARTIS AG (CH) 2017-09-19 US disclosed
US-9763957-B2 Autotaxin inhibitors NOVARTIS AG (CH) 2017-09-19 US disclosed
US-9763957-B2 Autotaxin inhibitors NOVARTIS AG (CH) 2017-09-19 US disclosed
US-20160184318-A1 AUTOTAXIN INHIBITORS NOVARTIS AG (CH) 2016-06-30 US disclosed
US-20160184318-A1 AUTOTAXIN INHIBITORS NOVARTIS AG (CH) 2016-06-30 US disclosed
US-20160184318-A1 AUTOTAXIN INHIBITORS NOVARTIS AG (CH) 2016-06-30 US disclosed
EP-3022202-A1 AUTOTAXIN INHIBITORS COMPRISING A HETEROAROMATIC RING-BENZYL-AMIDE-CYCLE CORE Novartis AG (CH) 2016-05-25 EP disclosed
CN-105555783-A Autotaxin inhibitors comprising a heteroaromatic ring-benzyl-amide-cycle core NOVARTIS AG 2016-05-04 CN disclosed
WO-2015008230-A1 AUTOTAXIN INHIBITORS COMPRISING A HETEROAROMATIC RING-BENZYL-AMIDE-CYCLE CORE NOVARTIS AG (CH) 2015-01-22 WO disclosed
WO-2015008230-A1 AUTOTAXIN INHIBITORS COMPRISING A HETEROAROMATIC RING-BENZYL-AMIDE-CYCLE CORE NOVARTIS AG (CH) 2015-01-22 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 (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-20160184318-A1 AUTOTAXIN INHIBITORS ENPP2, SERPINB1, TFPI CYP1A2 4617/4885CYP2C19 4798/4885CYP2C9 4827/4885
US-20180021345-A1 AUTOTAXIN INHIBITORS ENPP2, SERPINB1, TFPI CYP1A2 4617/4885CYP2C19 4798/4885CYP2C9 4827/4885
US-10183025-B2 Autotaxin inhibitors ENPP2, SERPINB1, TFPI CYP1A2 4617/4885CYP2C19 4798/4885CYP2C9 4827/4885

“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.