SCHEMBL3602527

SCHEMBL3602527

CCc1nn(C2CCCC2)c2cc(C=O)ccc12

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 13/20 0.39
PDE4B Q07343 13/20 0.39
PDE4C Q08493 13/20 0.39
PDE4D Q08499 13/20 0.39
ESR1 P03372 1/20 0.38
SLC22A12 Q96S37 1/20 0.36
PDE9A O76083 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
TEAD1 P28347 1/20 0.34
TEAD4 Q15561 1/20 0.34
TEAD2 Q15562 1/20 0.34
PTGER4 P35408 1/20 0.34
KHK P50053 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
SCHEMBL6182637 0.99 ESR1 (0.40) PDE4APDE4BPDE4CPDE4DESR1
SCHEMBL27701283 0.88 ESR1 (0.39) PDE4APDE4BPDE4CPDE4DESR1
SCHEMBL6169272 0.83 SLC22A12 (0.38) PDE4APDE4BPDE4CPDE4DESR1
SCHEMBL6171090 0.82 SLC22A12 (0.38) PDE4APDE4BPDE4CPDE4DESR1
SCHEMBL27701266 0.81 CMKLR1 (0.38) PDE4APDE4BPDE4CPDE4DESR1
SCHEMBL682469 0.80 ESR1 (0.38) PDE4APDE4BPDE4CPDE4DESR1
SCHEMBL683162 0.80 ESR1 (0.40) PDE4APDE4BPDE4CPDE4DESR1
SCHEMBL3167730 0.80 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DESR1
SCHEMBL6955349 0.80 MAPT (0.42) PDE4APDE4BPDE4CPDE4DESR1
SCHEMBL6796557 0.79 PTGDR2 (0.47) PDE4APDE4BPDE4CPDE4DESR1

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 57 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1422849-A indazole derivatives PFIZER (US) 2003-06-11 CN claimed
EP-2137162-B1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2018-08-01 EP disclosed
US-8536168-B2 Benzyl and pyridinyl derivatives as modulators of the hedgehog signaling pathway NOVARTIS AG (CH) 2013-09-17 US disclosed
CN-101657430-B Organic compounds and uses thereof NOVARTIS AG CH 2013-05-01 CN disclosed
US-7723348-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2010-05-25 US disclosed
US-20100069368-A1 Organic Compounds and Their Uses NOVARTIS AG (CH) 2010-03-18 US disclosed
EP-2137162-A1 ORGANIC COMPOUNDS AND THEIR USES Novartis Ag (CH) 2009-12-30 EP disclosed
US-20090221661-A1 PHOSPHODIESTERASE 4 INHIBITORS HOPPER ALLEN 2009-09-03 US disclosed
US-7495017-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2009-02-24 US disclosed
US-7432266-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2008-10-07 US disclosed
US-5958953-A Substituted indazole derivatives PFIZER INC (US) 1999-09-28 US disclosed
CN-1223651-A Substituted indazole derivatives and their use as phosphodiesterase (PDE) type IV and tumor necrosis factor (TNF) inhibitors PFIZER (US) 1999-07-21 CN disclosed
CN-1217714-A Substituted indazole derivatives and their use as Phosphodiesterase (PDE) type IV and inhibitors of the production of Tumor Necrosis Factor (TNF) PFIZER (US) 1999-05-26 CN disclosed
WO-1999023077-A1 INDAZOLE BIOISOSTERE REPLACEMENT OF CATECHOL IN THERAPEUTICALLY ACTIVE COMPOUNDS PFIZER PRODUCTS INC. (US) 1999-05-14 WO disclosed
WO-1999023076-A1 THERAPEUTICALLY ACTIVE COMPOUNDS BASED ON INDAZOLE BIOISOSTERE REPLACEMENT OF CATECHOL IN PDE4 INHIBITORS PFIZER PRODUCTS INC. (US) 1999-05-14 WO disclosed
EP-0912521-A1 SUBSTITUTED INDAZOLE DERIVATIVES AND THEIR USE AS INHIBITORS PHOSPHODIESTERASE (PDE) TYPE IV AND THE PRODUCTION OF TUMOR NECROSIS FACTOR (TNF) PFIZER INC. (US) 1999-05-06 EP disclosed
EP-0912558-A1 SUBSTITUTED INDAZOLE DERIVATIVES AND THEIR USE AS PHOSPHODIESTERASE (PDE) TYPE IV AND TUMOR NECROSIS FACTOR (TNF) INHIBITORS PFIZER INC. (US) 1999-05-06 EP disclosed
EP-0816357-A1 Substituted indazole derivatives PFIZER INC. (US) 1998-01-07 EP disclosed
WO-1997049702-A1 SUBSTITUTED INDAZOLE DERIVATIVES AND THEIR USE AS PHOSPHODIESTERASE (PDE) TYPE IV AND TUMOR NECROSIS FACTOR (TNF) INHIBITORS PFIZER INC. (US) 1997-12-31 WO disclosed
WO-1997042174-A1 SUBSTITUTED INDAZOLE DERIVATIVES AND THEIR USE AS INHIBITORS PHOSPHODIESTERASE (PDE) TYPE IV AND THE PRODUCTION OF TUMOR NECROSIS FACTOR (TNF) PFIZER INC. (US) 1997-11-13 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-20090221661-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE4B, PDE12 PDE4A 1/4885PDE4B 2/4885PDE4C 7/4885
US-20100069368-A1 Organic Compounds and Their Uses SHH, GLI1, VHL PDE4A 4105/4885PDE4B 3802/4885PDE4C 4217/4885

“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.