SCHEMBL21713065

SCHEMBL21713065

Cc1nc(Cl)c(C)c(N2CCC(c3ccc4cccnc4n3)CC2)n1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMO Q99835 2/20 0.40
PDE10A Q9Y233 4/20 0.39
TSHR P16473 2/20 0.35
MALT1 Q9UDY8 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
NPY1R P25929 1/20 0.35
HTT P42858 1/20 0.35
NPY2R P49146 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GLP1R P43220 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
SLC9A1 P19634 1/20 0.34
NPY5R Q15761 1/20 0.33

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
SCHEMBL275533 0.89 PDE10A (0.54) SMOPDE10A
SCHEMBL276023 0.88 PDE10A (0.37) SMOPDE10AMALT1GLP1RNPY5R
SCHEMBL275614 0.87 CNR2 (0.38) SMOPDE10AGLP1RTRPV1
SCHEMBL276092 0.87 GLP1R (0.38) SMOPDE10AMALT1GLP1RSLC9A1
SCHEMBL275522 0.78 GLP1R (0.38) SMOPDE10AMALT1ALDH1A1MAPT
SCHEMBL2373792 0.77 NPC1 (0.42) PDE10AALDH1A1MAPT
SCHEMBL2232965 0.73 ITGB3 (0.51) SMOPDE10ATSHRMEN1ALDH1A1
SCHEMBL16334101 0.73 ALDH1A1 (0.46) PDE10ATSHRMEN1ALDH1A1MAPT
SCHEMBL21832083 0.69 KDM4E (0.47) SMOPDE10AMEN1ALDH1A1KMT2A
SCHEMBL20302549 0.68 PDE10A (0.50) SMOPDE10AALDH1A1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210198258-A1 INTEGRIN ANTAGONISTS Oxurion NV (BE) 2021-07-01 US disclosed
US-20210198258-A1 INTEGRIN ANTAGONISTS Oxurion NV (BE) 2021-07-01 US disclosed
CN-112805284-A Integrin antagonists 奥克斯润有限责任公司 2021-05-14 CN disclosed
EP-3613739-B1 INTEGRIN ANTAGONISTS Oxurion NV (BE) 2020-11-04 EP disclosed
US-10703752-B2 Integrin antagonists Oxurion NV (BE) 2020-07-07 US disclosed
US-10703752-B2 Integrin antagonists Oxurion NV (BE) 2020-07-07 US disclosed
EP-3613739-A1 INTEGRIN ANTAGONISTS Oxurion NV (BE) 2020-02-26 EP disclosed
US-20200055849-A1 INTEGRIN ANTAGONISTS Oxurion NV (BE) 2020-02-20 US disclosed
US-20200055849-A1 INTEGRIN ANTAGONISTS Oxurion NV (BE) 2020-02-20 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 (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-20210198258-A1 INTEGRIN ANTAGONISTS ITGB1, ITGA2B, ITGA1 SMO 1018/4885PDE10A 1987/4885TSHR 1506/4885
US-10703752-B2 Integrin antagonists ITGB1, ITGA2B, ITGA1 SMO 1043/4885PDE10A 2022/4885TSHR 1580/4885
US-20200055849-A1 INTEGRIN ANTAGONISTS ITGB1, ITGA2B, ITGA1 SMO 1043/4885PDE10A 2022/4885TSHR 1580/4885

“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.