SCHEMBL5656605

SCHEMBL5656605

O=Cc1nccn1CC1CCC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.40
PDE1C Q14123 6/20 0.38
PDE1A P54750 4/20 0.38
PDE1B Q01064 4/20 0.38
CYP2B6 P20813 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
GRIN1 Q05586 1/20 0.34
KCNH2 Q12809 1/20 0.34
GRIN2B Q13224 1/20 0.34
OPRD1 P41143 1/20 0.34
CYP11B2 P19099 1/20 0.34
PIM1 P11309 1/20 0.32
GRM2 Q14416 1/20 0.31

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
SCHEMBL5655685 0.95 BRD4 (0.41) BRD4PDE1CPDE1APDE1BGRIN2B
Hydrochloric Acid SCHEMBL29957620 0.86 BRD4 (0.51) BRD4
Hydrochloric Acid SCHEMBL29953510 0.84 BRD4 (0.37) BRD4
Hydrochloric Acid SCHEMBL29952107 0.81 BRD4 (0.44) BRD4PIM1
SCHEMBL4846610 0.78 TP53 (0.37) BRD4CYP1A2CYP2C19GRIN2B
Hydrochloric Acid SCHEMBL29956743 0.76 DRD2 (0.40) KCNH2
SCHEMBL2086433 0.74 ADORA2B (0.35) CYP1A2CYP2C19
SCHEMBL5657494 0.72 KCNH2 (0.39) BRD4PDE1CPDE1APDE1BCYP2B6
SCHEMBL1206354 0.72
SCHEMBL27268233 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-7262185-B2 Benzazepine derivative, process for producing the same, and use TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2007-08-28 US disclosed
US-20040235822-A1 Benzazepine derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-11-25 US disclosed
EP-1422228-A1 BENZAZEPINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2004-05-26 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-20040235822-A1 Benzazepine derivative, process for producing the same, and use CYP1B1, CYP1A1, CYP2E1 BRD4 156/4885PDE1C 3107/4885PDE1A 2893/4885

“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.