SCHEMBL6984869

SCHEMBL6984869

CC1(c2cccc(N)c2)C2C(=O)N(Cc3ccccc3)C(=O)C21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
OPRM1 P35372 1/20 0.44
OPRK1 P41145 1/20 0.44
CYP19A1 P11511 2/20 0.43
ALDH1A1 P00352 5/20 0.43
ACHE P22303 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ADRA2A P08913 1/20 0.42
NISCH Q9Y2I1 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM3 P20309 1/20 0.42
CTSG P08311 1/20 0.40
PRTN3 P24158 1/20 0.40
USP2 O75604 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL4698661 0.85 ELANE (0.43) ELANEMEN1KMT2ACYP19A1ALDH1A1
SCHEMBL6986198 0.81 TDP1 (0.54) MEN1KMT2AALDH1A1ACHETSHR
SCHEMBL5756711 0.79 OPRM1 (0.43) ELANEOPRM1OPRK1CYP19A1ALDH1A1
SCHEMBL6982155 0.78 OPRM1 (0.57) OPRM1OPRK1ACHE
SCHEMBL5754953 0.76 CYP3A4 (0.54) ELANEMEN1KMT2AALDH1A1ACHE
SCHEMBL9909016 0.75 ELANE (0.59) ELANEMEN1KMT2AALDH1A1ACHE
SCHEMBL12469648 0.75 ELANE (0.59) ELANEMEN1KMT2AALDH1A1ACHE
SCHEMBL5755376 0.75 OPRM1 (0.50) OPRM1OPRK1CHRM2CHRM3
SCHEMBL14564780 0.73 CYP19A1 (0.43) ELANEMEN1KMT2ACYP19A1ALDH1A1
SCHEMBL2885533 0.72 BACE1 (0.53) CYP19A1

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 ELANE 601/4885MEN1 4567/4885KMT2A 3458/4885
US-20020025948-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy OPRD1, OPRK1, OPRM1 ELANE 601/4885MEN1 4567/4885KMT2A 3458/4885

“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.