SCHEMBL4513616

SCHEMBL4513616

O=C(Nc1ccc(OC(F)(F)F)cc1)N1CC(c2nc3c(cnn3C3CCCCC3)c(=O)[nH]2)C1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 15/20 0.51
PDE5A O76074 2/20 0.50
PDE4A P27815 2/20 0.50
PDE1B Q01064 2/20 0.50
PDE4B Q07343 2/20 0.50
PDE4C Q08493 2/20 0.50
PDE4D Q08499 2/20 0.50
PDE7A Q13946 2/20 0.50
PDE10A Q9Y233 2/20 0.50
PDE2A O00408 1/20 0.50
PDE3A Q14432 1/20 0.50
ABL1 P00519 1/20 0.49
BCR P11274 1/20 0.49
EPHX2 P34913 4/20 0.47
PDE1C Q14123 1/20 0.45

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
SCHEMBL4514563 0.89 PDE9A (0.65) PDE9APDE5APDE4APDE1BPDE4B
SCHEMBL4515389 0.89 PDE9A (0.56) PDE9APDE5APDE4APDE1BPDE4B
SCHEMBL4502023 0.88 PDE9A (0.60) PDE9APDE5APDE4APDE1BPDE4B
SCHEMBL4510943 0.86 PDE9A (0.56) PDE9APDE1C
SCHEMBL4513622 0.84 PDE9A (0.48) PDE9APDE5AEPHX2
SCHEMBL4505438 0.84 PDE9A (0.51) PDE9APDE5APDE4APDE1BPDE4B
SCHEMBL4511653 0.84 PDE9A (0.53) PDE9APDE5APDE4APDE1BPDE4B
SCHEMBL4515583 0.84 PDE9A (0.49) PDE9APDE5APDE4APDE1BPDE4B
SCHEMBL4512337 0.84 PDE9A (0.49) PDE9APDE5APDE4APDE1BPDE4B
SCHEMBL4516465 0.82 PDE9A (0.49) PDE9APDE5APDE4APDE1BPDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases GALAPAGOS NV (BE) 2009-05-28 US claimed
WO-2008055959-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2008-05-15 WO claimed
US-11166956-B2 Combinations of PDE1 inhibitors and NEP inhibitors INTRA-CELLULAR THERAPIES, INC. (US) 2021-11-09 US disclosed
US-20190275046-A1 NOVEL COMBINATION INTRA-CELLULAR THERAPIES, INC. (US) 2019-09-12 US disclosed
US-10285992-B2 Combinations of PDE1 inhibitors and NEP inhibitors and associated methods INTRA-CELLULAR THERAPIES, INC. (US) 2019-05-14 US disclosed
US-20160038494-A1 NOVEL COMBINATION INTRA-CELLULAR THERAPIES, INC. 2016-02-11 US disclosed
US-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases GALAPAGOS NV (BE) 2009-05-28 US disclosed
US-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases GALAPAGOS NV (BE) 2009-05-28 US disclosed
US-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases GALAPAGOS NV (BE) 2009-05-28 US disclosed
WO-2008055959-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2008-05-15 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 (5 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-20160038494-A1 NOVEL COMBINATION PDE5A, PDE2A, PDE3A PDE9A 40/4885PDE5A 1/4885PDE4A 9/4885
US-10285992-B2 Combinations of PDE1 inhibitors and NEP inhibitors and associated methods PDE5A, PDE3A, PDE2A PDE9A 29/4885PDE5A 1/4885PDE4A 8/4885
US-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases PDE4A, PDE7B, PDE4B PDE9A 13/4885PDE5A 7/4885PDE4A 1/4885
US-20190275046-A1 NOVEL COMBINATION PDE5A, PDE2A, PDE3A PDE9A 40/4885PDE5A 1/4885PDE4A 9/4885
US-11166956-B2 Combinations of PDE1 inhibitors and NEP inhibitors PDE5A, ECE1, PDE3A PDE9A 34/4885PDE5A 1/4885PDE4A 10/4885

“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.