SCHEMBL4550291

SCHEMBL4550291

CCN1CCC(C(=O)N(C)C)C1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.55
SMN1; SMN2 Q16637 1/20 0.52
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.39
HSD11B1 P28845 1/20 0.39
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
HTT P42858 1/20 0.38
PKM P14618 3/20 0.38
KDM4E B2RXH2 2/20 0.38
NOTUM Q6P988 1/20 0.37
LTA4H P09960 2/20 0.36
GAA P10253 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL19815625 0.89 BCHE (0.68) BCHESMN1; SMN2MAPTHSD11B1HTT
SCHEMBL4550355 0.89 SMN1; SMN2 (0.60) BCHESMN1; SMN2CYP2D6MAPTHSD11B1
SCHEMBL13102173 0.86 BCHE (0.64) BCHESMN1; SMN2CYP2D6
SCHEMBL3477575 0.84 BCHE (0.49) BCHESMN1; SMN2CYP2D6MAPTHSD11B1
SCHEMBL13212597 0.81 BCHE (0.48) BCHESMN1; SMN2CYP2D6MAPTPDCD1
SCHEMBL13234033 0.81 BCHE (0.48) BCHESMN1; SMN2CYP2D6MAPTPDCD1
SCHEMBL13212600 0.81 BCHE (0.48) BCHESMN1; SMN2CYP2D6MAPTPDCD1
SCHEMBL3422711 0.81 BCHE (0.48) BCHESMN1; SMN2CYP2D6MAPTPDCD1
SCHEMBL13233432 0.81 BCHE (0.48) BCHESMN1; SMN2CYP2D6MAPTPDCD1
SCHEMBL19186108 0.79 SMN1; SMN2 (0.43) BCHESMN1; SMN2CYP2D6MAPTHSD11B1

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
WO-2022022600-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2022-02-03 WO disclosed
US-8563540-B2 Pyrido[3,2-d]pyrimidine PI3K delta inhibitor compounds and methods of use GENENTECH, INC. (US) 2013-10-22 US disclosed
US-20130225557-A1 PYRIDO[3,2-d]PYRIMIDINE PI3K DELTA INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2013-08-29 US disclosed
US-8440651-B2 Pyrido[3,2-d]pyrimidine PI3K delta inhibitor compounds and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2013-05-14 US disclosed
US-8173650-B2 Bicyclic pyrimidine PI3K inhibitor compounds selective for P110 delta, and methods of use GENENTECH, INC. (US) 2012-05-08 US disclosed
US-8158625-B2 Bicyclic indole-pyrimidine PI3K inhibitor compounds selective for P110 delta, and methods of use GENENTECH, INC. (US) 2012-04-17 US disclosed
US-20100305084-A1 BICYCLIC INDOLE-PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE HOFFMAN-LA ROCHE INC. 2010-12-02 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 (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-20130225557-A1 PYRIDO[3,2-d]PYRIMIDINE PI3K DELTA INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3CB BCHE 2948/4885SMN1; SMN2 3309/4885CYP2D6 995/4885
US-20100305084-A1 BICYCLIC INDOLE-PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PI4K2B, PIK3CA, PIK3R2 BCHE 4220/4885SMN1; SMN2 3259/4885CYP2D6 2177/4885

“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.