SCHEMBL3534667

SCHEMBL3534667

O=C(Cl)c1cn(CC2CC2)c2ncccc12

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HTR3A P46098 11/20 0.47
▸ CNR2 P34972 5/20 0.43
▸ CNR1 P21554 3/20 0.43
▸ ATM Q13315 1/20 0.42
▸ ELANE P08246 1/20 0.42

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
SCHEMBL3533287 0.88 KDM4E (0.45) HTR3ACNR2CNR1ATMELANE
Hydrochloric Acid SCHEMBL3534671 0.87 HTR3A (0.44) HTR3ACNR2CNR1ATMELANE
SCHEMBL6223368 0.81 HTR3A (0.40) HTR3ACNR2CNR1ELANE
SCHEMBL3540199 0.79 CNR1 (0.53) HTR3ACNR2CNR1ELANE
SCHEMBL5552779 0.79 PDE4A (0.55) HTR3ACNR2CNR1ELANE
SCHEMBL1606716 0.77 NPC1 (0.49) CNR2CNR1ELANE
SCHEMBL5553052 0.77 PDE4A (0.54) HTR3ACNR2CNR1ELANE
SCHEMBL5557051 0.77 PDE4A (0.69) HTR3AELANE
SCHEMBL6223291 0.77 HTR3A (0.39) HTR3ACNR2CNR1ELANE
SCHEMBL27521014 0.77 ELANE (0.41) HTR3ACNR2CNR1ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7683074-B2 7-azaindoles, their use as inhibitors of phosphodiesterase 4, and a method for synthesizing them BIOTIE THERAPIES GMBH (DE) 2010-03-23 — — US disclosed
US-7419987-B2 7-azaindoles, their use as inhibitors of phosphodiesterase 4, and a method for synthesizing them ELBION AG (DE) 2008-09-02 — — US disclosed
US-20080207680-A1 7-Azaindoles, their use as inhibitors of phosphodiesterase 4, and a method for synthesizing them BIOTIE THERAPIES GMBH (DE) 2008-08-28 — — US disclosed
US-7169787-B2 7-azaindoles, use thereof as phosphodiesterase 4 inhibitors and method for producing the same ELBION AG (DE) 2007-01-30 — — US disclosed
US-20060258700-A1 7-azaindoles, their use as inhibitors of phosphodiesterase 4, and a method for synthesizing them BIOTIE THERAPIES GMBH (DE) 2006-11-16 — — US disclosed
CN-1247576-C Novel 7-azaindoles, their use as inhibitors of phosphodiesterase 4 and process for their preparation ELBION AG (DE) 2006-03-29 — — CN disclosed
US-20040106641-A1 Novel 7-azaindoles, use thereof as phosphodiesterase 4 inhibitors and method for producing the same BIOTIE THERAPIES GMBH (DE) 2004-06-03 — — US disclosed
CN-1484644-A Novel 7-azaindoles, their use as inhibitors of phosphodiesterase 4 and process for their preparation �����ɷ� 2004-03-24 — — CN 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-20040106641-A1 Novel 7-azaindoles, use thereof as phosphodiesterase 4 inhibitors and method for producing the same PDE4A, PDE4B, PDE4C HTR3A 862/4885CNR2 2555/4885CNR1 3089/4885
US-20060258700-A1 7-azaindoles, their use as inhibitors of phosphodiesterase 4, and a method for synthesizing them PDE4A, PDE4B, PDE3A HTR3A 578/4885CNR2 3086/4885CNR1 3678/4885
US-20080207680-A1 7-Azaindoles, their use as inhibitors of phosphodiesterase 4, and a method for synthesizing them PDE4A, PDE4B, PDE7A HTR3A 887/4885CNR2 2944/4885CNR1 3525/4885

“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.

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