SCHEMBL14644693

SCHEMBL14644693

C[C@@H]1CCCN(C(=O)CC#N)C1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.63
LMNA P02545 1/20 0.63
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
MAPT P10636 2/20 0.58
POLB P06746 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.50
HPGD P15428 2/20 0.50
GAA P10253 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CHRM2 P08172 1/20 0.45
CHRM4 P08173 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
RECQL P46063 1/20 0.44
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43

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
SCHEMBL14426034 1.00 ALDH1A1 (0.63) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL12957767 1.00 ALDH1A1 (0.63) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL12424461 0.95 ALDH1A1 (0.57) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL12683453 0.90 ALDH1A1 (0.49) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL15014631 0.90 ALDH1A1 (0.49) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL30497381 0.90 ALDH1A1 (0.49) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL15014577 0.82 ALDH1A1 (0.41) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL18525632 0.81 CHRM2 (0.44) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL12424603 0.81 JAK3 (0.46) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL12957659 0.80 IRAK4 (0.46) ALDH1A1LMNAMEN1KMT2AMAPT

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-10435428-B2 Prodrugs of a JAK inhibitor compound for treatment of gastrointestinal inflammatory disease THERAVANCE BIOPHARMA R&D IP, LLC (US) 2019-10-08 US disclosed
US-20170145044-A1 Prodrugs of a JAK Inhibitor Compound for Treatment of Gastrointestinal Inflammatory Disease THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-05-25 US disclosed
US-8461328-B2 Tricyclic heterocyclic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2013-06-11 US disclosed
WO-2013007768-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF AS JAK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-01-17 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 (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-10435428-B2 Prodrugs of a JAK inhibitor compound for treatment of gastrointestinal inflammatory disease JAK1, JAK2, JAK3 ALDH1A1 2726/4885LMNA 4486/4885MEN1 3334/4885
US-20170145044-A1 Prodrugs of a JAK Inhibitor Compound for Treatment of Gastrointestinal Inflammatory Disease JAK1, JAK2, JAK3 ALDH1A1 2726/4885LMNA 4486/4885MEN1 3334/4885

“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.