SCHEMBL7073299

SCHEMBL7073299

C=CCN1C(=O)C2C(C1=O)C2(CC)c1cccc(N)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.40
ALDH1A1 P00352 5/20 0.37
GAA P10253 3/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
HTT P42858 1/20 0.32
CASP3 P42574 1/20 0.31
OPRD1 P41143 2/20 0.31
OPRK1 P41145 2/20 0.31
OPRM1 P35372 1/20 0.31
KCNH2 Q12809 1/20 0.31
TSHR P16473 3/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
POLB P06746 1/20 0.31
CNR1 P21554 1/20 0.30
BACE1 P56817 1/20 0.30

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
SCHEMBL6983639 0.81 POLB (0.45) ALDH1A1GAALMNAMAPTHTT
SCHEMBL4698661 0.80 ELANE (0.43) CYP19A1ALDH1A1TSHR
SCHEMBL7071845 0.76 OPRM1 (0.45) GAALMNAOPRD1OPRK1OPRM1
SCHEMBL5755532 0.70 CYP19A1 (0.36) CYP19A1GAALMNAOPRK1OPRM1
SCHEMBL5752213 0.68 CNR2 (0.45) CYP19A1CNR1BACE1
SCHEMBL4699728 0.65 ELANE (0.43) ALDH1A1CNR1
SCHEMBL4698128 0.64 OPRM1 (0.54) OPRD1OPRK1OPRM1KCNH2
SCHEMBL6984869 0.64 ELANE (0.44) CYP19A1ALDH1A1MAPTOPRK1OPRM1
SCHEMBL4702789 0.63 CMA1 (0.49) ALDH1A1GAAMAPTKDM4EL3MBTL1
SCHEMBL12658804 0.62 ALDH1A1 (0.45) CYP19A1ALDH1A1GAALMNAMAPT

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-20030207876-A1 3-Azabicyclo[3.1.0]hexane derivatives useful in therapy PFIZER, INC. 2003-11-06 US disclosed
EP-1292574-A1 3-AZABICYCLO[3.1.0]HEXANE DERIVATIVES HAVING OPIOID RECEPTOR AFFINITY PFIZER INC. (US) 2003-03-19 EP disclosed
US-20020025948-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy PFIZER INC. 2002-02-28 US disclosed
WO-2001098267-A1 3-AZABICYCLO (3.1.0) HEXANE DERIVATIVES HAVING OPIOID RECEPTOR AFFINITY PFIZER LIMITED (GB) 2001-12-27 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-20030207876-A1 3-Azabicyclo[3.1.0]hexane derivatives useful in therapy OPRD1, OPRK1, OPRM1 CYP19A1 608/4885ALDH1A1 250/4885GAA 1507/4885
US-20020025948-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy OPRD1, OPRK1, OPRM1 CYP19A1 608/4885ALDH1A1 250/4885GAA 1507/4885

“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.