SCHEMBL3533287

SCHEMBL3533287

O=C(O)c1cn(CC2CC2)c2ncccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.45
▸ HTR3A P46098 7/20 0.45
▸ CNR2 P34972 5/20 0.44
▸ CNR1 P21554 4/20 0.44
▸ ELANE P08246 2/20 0.43
▸ ATM Q13315 1/20 0.43
▸ KDM6B O15054 1/20 0.41
▸ KDM6A O15550 1/20 0.41
▸ TET3 O43151 1/20 0.41
▸ KDM4A O75164 1/20 0.41
▸ KDM4B O94953 1/20 0.41
▸ KDM5C P41229 1/20 0.41
▸ KDM4D Q6B0I6 1/20 0.41
▸ TET2 Q6N021 1/20 0.41
▸ ALKBH5 Q6P6C2 1/20 0.41
▸ TET1 Q8NFU7 1/20 0.41
▸ FTO Q9C0B1 1/20 0.41
▸ EGLN1 Q9GZT9 1/20 0.41
▸ KDM4C Q9H3R0 1/20 0.41
▸ KDM2A Q9Y2K7 1/20 0.41

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
Hydrochloric Acid SCHEMBL3534671 0.99 HTR3A (0.44) KDM4EHTR3ACNR2CNR1ELANE
SCHEMBL3534667 0.88 HTR3A (0.47) HTR3ACNR2CNR1ELANEATM
SCHEMBL7396445 0.84 CNR1 (0.49) CNR2CNR1
SCHEMBL6223291 0.81 HTR3A (0.39) HTR3ACNR2CNR1ELANE
SCHEMBL8692020 0.80 CNR1 (0.50) KDM4ECNR2CNR1ATMKDM6B
SCHEMBL3540199 0.80 CNR1 (0.53) HTR3ACNR2CNR1ELANE
SCHEMBL28146834 0.79 KDM4E (0.48) KDM4EHTR3ACNR2CNR1ATM
SCHEMBL24437278 0.78 PDE6D (0.45) KDM4ECNR2CNR1KDM6BKDM6A
SCHEMBL1606716 0.78 NPC1 (0.49) KDM4ECNR2CNR1ELANEL3MBTL1
SCHEMBL27521014 0.78 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12459938-B2 ORAI channel inhibitors BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2025-11-04 — — US disclosed
US-20220153735-A1 Orai Channel Inhibitors BETH ISRAEL DEACONESS MEDICAL CENTER, INC. 2022-05-19 — — US disclosed
US-20220153735-A1 Orai Channel Inhibitors BETH ISRAEL DEACONESS MEDICAL CENTER, INC. 2022-05-19 — — US disclosed
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
EP-1330455-B1 NOVEL 7-AZAINDOLES, USE THEREOF AS PHOSPHODIESTERASE 4 INHIBITORS AND METHOD FOR PRODUCING THE SAME ELBION AG (DE) 2005-08-03 — — EP 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

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-20040106641-A1 Novel 7-azaindoles, use thereof as phosphodiesterase 4 inhibitors and method for producing the same PDE4A, PDE4B, PDE4C KDM4E 155/4885HTR3A 862/4885CNR2 2555/4885
US-12459938-B2 ORAI channel inhibitors ORAI1, CACNA1E, ORAI3 KDM4E 1740/4885HTR3A 1530/4885CNR2 209/4885
US-20060258700-A1 7-azaindoles, their use as inhibitors of phosphodiesterase 4, and a method for synthesizing them PDE4A, PDE4B, PDE3A KDM4E 161/4885HTR3A 578/4885CNR2 3086/4885
US-20220153735-A1 Orai Channel Inhibitors ORAI2, ORAI1, ORAI3 KDM4E 2818/4885HTR3A 2385/4885CNR2 745/4885
US-20080207680-A1 7-Azaindoles, their use as inhibitors of phosphodiesterase 4, and a method for synthesizing them PDE4A, PDE4B, PDE7A KDM4E 184/4885HTR3A 887/4885CNR2 2944/4885

“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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