SCHEMBL6180442

SCHEMBL6180442

CCc1nn(C2CCCC2)c2cc(CC#N)ccc12

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CMKLR1 Q99788 7/20 0.38
USP14 P54578 1/20 0.38
PDE4A P27815 5/20 0.38
PDE4B Q07343 5/20 0.38
PDE4C Q08493 5/20 0.38
PDE4D Q08499 5/20 0.38
ESR1 P03372 1/20 0.37
KHK P50053 4/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34

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
SCHEMBL6182817 0.99 ESR1 (0.39) CMKLR1USP14PDE4APDE4BPDE4C
SCHEMBL3602939 0.84 ESR1 (0.41) CMKLR1PDE4APDE4BPDE4CPDE4D
SCHEMBL3167730 0.78 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DESR1
SCHEMBL683162 0.78 ESR1 (0.40) PDE4APDE4BPDE4CPDE4DESR1
SCHEMBL7727228 0.78 GRM4 (0.39) USP14KHKDRD2DRD3
SCHEMBL6796557 0.77 PTGDR2 (0.47) PDE4APDE4BPDE4CPDE4DESR1
SCHEMBL6185088 0.77 ESR1 (0.42) PDE4APDE4BPDE4CPDE4DESR1
SCHEMBL27428244 0.77 ESR1 (0.40) CMKLR1PDE4APDE4BPDE4CPDE4D
Bromide SCHEMBL7526402 0.76 ESR1 (0.41) PDE4APDE4BPDE4CPDE4DESR1
SCHEMBL27552667 0.76 ESR1 (0.41) 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1422849-A indazole derivatives PFIZER (US) 2003-06-11 CN claimed
EP-0912521-B1 SUBSTITUTED INDAZOLE DERIVATIVES AND THEIR USE AS INHIBITORS PHOSPHODIESTERASE (PDE) TYPE IV AND THE PRODUCTION OF TUMOR NECROSIS FACTOR (TNF) PFIZER (US) 2005-04-06 EP disclosed
US-6716978-B2 FOR THERAPY AND PROHYLAXIS OF INFLAMMATORY DISEASES INCLUDING JOINT INFLAMMATION, CROHN'S DISEASE, AND INFLAMMATORY BOWEL DISEASE; RESPIRATORY DISEASES SUCH AS CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD) INCLUDING ASTHMA, CHRONIC BRONCHITIS PFIZER INC 2004-04-06 US disclosed
US-20030158189-A1 Therapeutically active compounds based on indazole bioisostere replacement of catechol in PDE4 inhibitors MARFAT ANTHONY (US) 2003-08-21 US disclosed
CN-1112359-C Substituted indazole derivatives and their use as Phosphodiesterase (PDE) type IV and inhibitors of the production of Tumor Necrosis Factor (TNF) PFIZER (US) 2003-06-25 CN disclosed
CN-1422849-A indazole derivatives PFIZER (US) 2003-06-11 CN disclosed
US-6391872-B1 SENSITIVE TO ADRENERGIC ANTAGONIST PFIZER INC 2002-05-21 US disclosed
US-20020058687-A1 THERAPEUTICALLY ACTIVE COMPOUNDS BASED ON INDAZOLE BIOISOSTERE REPLACEMENT OF CATECHOL IN PDE4 INHIBITORS MARFAT ANTHONY (US) 2002-05-16 US disclosed
US-6211222-B1 Substituted indazole derivatives and related compounds PFIZER INC 2001-04-03 US disclosed
CN-1284948-A Indazole bioisostere replacement of catechol in therapeutically active compounds PFIZER PROD INC (US) 2001-02-21 CN disclosed
CN-1281441-A Therapeutically active compounds based on indazole bioisostere replacement of catechol in PDE4 inhibitors PFIZER PROD INC (US) 2001-01-24 CN disclosed
US-6127398-A Substituted indazole derivatives and related compounds PFIZER INC (US) 2000-10-03 US 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
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
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-20030158189-A1 Therapeutically active compounds based on indazole bioisostere replacement of catechol in PDE4 inhibitors PDE4B, PDE3B, PDE4A CMKLR1 1235/4885USP14 1861/4885PDE4A 3/4885
US-20020058687-A1 THERAPEUTICALLY ACTIVE COMPOUNDS BASED ON INDAZOLE BIOISOSTERE REPLACEMENT OF CATECHOL IN PDE4 INHIBITORS PDE3B, ALPI, PDE4B CMKLR1 1481/4885USP14 2637/4885PDE4A 9/4885

“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.