SCHEMBL20739720

SCHEMBL20739720

O=C(OCc1ccccc1)N1CCC2(CCNC2)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.54
ATXN2 Q99700 2/20 0.54
ACACB O00763 1/20 0.51
HSD17B10 Q99714 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
CYP2D6 P10635 2/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
NAMPT P43490 1/20 0.46
RORC P51449 3/20 0.45
HTR2C P28335 1/20 0.44
CYP1A2 P05177 1/20 0.44
L3MBTL3 Q96JM7 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL16144658 0.93 CYP3A4 (0.50) ENPP2ATXN2ACACBHSD17B10MEN1
SCHEMBL14249585 0.93 ENPP2 (0.56) ENPP2ATXN2ACACBMEN1KMT2A
SCHEMBL13805600 0.93 MEN1 (0.54) ENPP2ATXN2ACACBMEN1KMT2A
Hydrochloric Acid SCHEMBL28384503 0.92 CYP3A4 (0.49) ENPP2ATXN2ACACBHSD17B10MEN1
Hydrochloric Acid SCHEMBL14249583 0.91 ENPP2 (0.55) ENPP2ATXN2ACACBMEN1KMT2A
SCHEMBL30741614 0.91 ENPP2 (0.49) ENPP2ATXN2ACACBHSD17B10MEN1
SCHEMBL614422 0.91 ENPP2 (0.57) ENPP2ATXN2ACACBMEN1KMT2A
Hydrochloric Acid SCHEMBL28379028 0.90 ATXN2 (0.56) ENPP2ATXN2ACACBMEN1KMT2A
SCHEMBL30484110 0.87 MEN1 (0.57) ENPP2ATXN2MEN1KMT2ANPSR1
Hydrochloric Acid SCHEMBL30121235 0.86 MEN1 (0.56) ENPP2ATXN2MEN1KMT2ANPSR1

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-20230218597-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-07-13 US disclosed
WO-2019029620-A1 ATX INHIBITORS, PREPARATION METHOD THEREFOR AND APPLICATIONS THEREOF 广州市恒诺康医药科技有限公司 2019-02-14 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-20230218597-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE ALK, ACVR1, ACVR2A ENPP2 67/4885ATXN2 3736/4885ACACB 1866/4885

“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.