SCHEMBL683162

SCHEMBL683162

CCc1nn(C2CCCC2)c2cc(Br)ccc12

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.40
PDE4A P27815 14/20 0.38
PDE4B Q07343 14/20 0.38
PDE4D Q08499 14/20 0.38
PDE4C Q08493 13/20 0.38
KHK P50053 5/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35

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
SCHEMBL6185088 0.99 ESR1 (0.42) ESR1PDE4APDE4BPDE4DPDE4C
Bromide SCHEMBL7526402 0.97 ESR1 (0.41) ESR1PDE4APDE4BPDE4DPDE4C
SCHEMBL682469 0.97 ESR1 (0.38) ESR1PDE4APDE4BPDE4DPDE4C
SCHEMBL3167730 0.83 PDE4A (0.41) ESR1PDE4APDE4BPDE4DPDE4C
SCHEMBL2144178 0.82 MAPK1 (0.39) PDE4APDE4BPDE4DPDE4CKHK
SCHEMBL6796557 0.82 PTGDR2 (0.47) ESR1PDE4APDE4BPDE4DPDE4C
SCHEMBL682826 0.81 ESR1 (0.43) ESR1
SCHEMBL3602939 0.81 ESR1 (0.41) ESR1PDE4APDE4BPDE4DPDE4C
SCHEMBL27426835 0.81 PDE4A (0.48) ESR1PDE4APDE4BPDE4DPDE4C
SCHEMBL27552667 0.81 ESR1 (0.41) ESR1PDE4APDE4BPDE4DPDE4C

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 68 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
US-9624200-B2 Therapeutic piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2017-04-18 US disclosed
US-9624200-B2 Therapeutic piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2017-04-18 US disclosed
US-9624200-B2 Therapeutic piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2017-04-18 US disclosed
EP-1989188-B1 THERAPEUTIC PIPERAZINES AS PDE4 INHIBITORS DART NEUROSCIENCE CAYMAN LTD (KY) 2015-07-22 EP disclosed
EP-1989188-B1 THERAPEUTIC PIPERAZINES AS PDE4 INHIBITORS DART NEUROSCIENCE CAYMAN LTD (KY) 2015-07-22 EP disclosed
US-20150087645-A1 THERAPEUTIC PIPERAZINES HELICON THERAPEUTICS, INC. 2015-03-26 US disclosed
US-20150087645-A1 THERAPEUTIC PIPERAZINES HELICON THERAPEUTICS, INC. 2015-03-26 US disclosed
US-20150087645-A1 THERAPEUTIC PIPERAZINES HELICON THERAPEUTICS, INC. 2015-03-26 US disclosed
US-8927546-B2 Therapeutic piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2015-01-06 US disclosed
EP-0816357-B1 Substituted indazole derivatives PFIZER (US) 2002-01-09 EP disclosed
US-6262040-B1 Indazole derivatives and their use as inhibitors of phosphodiesterase (PDE) type IV and the production of tumor necrosis factor (TNF) PFIZER INC 2001-07-17 US disclosed
WO-2001047915-A1 CYCLIC AMP-SPECIFIC PHOSPHODIESTERASE INHIBITORS ICOS CORPORATION (US) 2001-07-05 WO disclosed
US-6211222-B1 Substituted indazole derivatives and related compounds PFIZER INC 2001-04-03 US 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
US-6040329-A Substituted indazole analogs PFIZER INC (US) 2000-03-21 US disclosed
CN-1234031-A Indazole derivatives and their use as inhibitors of phosphodiesterase (PDE) type IV and the prodn. of tumor necrosis factor (TNF) PFIZER (US) 1999-11-03 CN disclosed
US-5958953-A Substituted indazole derivatives PFIZER INC (US) 1999-09-28 US disclosed
EP-0816357-A1 Substituted indazole derivatives PFIZER INC. (US) 1998-01-07 EP 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 (1 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-20150087645-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D ESR1 3682/4885PDE4A 1/4885PDE4B 2/4885

“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.