SCHEMBL4703428

SCHEMBL4703428

CCC(=NN)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
ALDH1A1 P00352 4/20 0.55
TSHR P16473 2/20 0.55
CES2 O00748 1/20 0.54
CES1 P23141 1/20 0.54
TP53 P04637 1/20 0.53
PRSS1 P07477 1/20 0.53
PRSS2 P07478 1/20 0.53
PRSS3 P35030 1/20 0.53
ALOX12 P18054 2/20 0.52
HPGD P15428 1/20 0.52
MAPT P10636 4/20 0.51
KMT2A Q03164 5/20 0.50
MEN1 O00255 3/20 0.50
GAA P10253 1/20 0.50
HTT P42858 1/20 0.50
POLB P06746 1/20 0.49
CTDSP1 Q9GZU7 1/20 0.49

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
SCHEMBL4703427 1.00 CYP1A2 (0.56) CYP1A2CYP3A4CYP2C9ALDH1A1TSHR
SCHEMBL27743048 1.00 CYP1A2 (0.56) CYP1A2CYP3A4CYP2C9ALDH1A1TSHR
SCHEMBL6337198 0.81 EGFR (0.56) CYP1A2CYP3A4CYP2C9ALDH1A1TSHR
SCHEMBL18862985 0.81 KMT2A (0.58) ALDH1A1TSHRCES1ALOX12MAPT
SCHEMBL18862986 0.81 KMT2A (0.58) ALDH1A1TSHRCES1ALOX12MAPT
SCHEMBL18091684 0.80 ALDH1A1 (0.65) CYP1A2CYP3A4CYP2C9ALDH1A1TSHR
SCHEMBL4382146 0.80 ALDH1A1 (0.65) CYP1A2CYP3A4CYP2C9ALDH1A1TSHR
SCHEMBL211017 0.78 ALDH1A1 (0.67) CYP1A2CYP3A4CYP2C9ALDH1A1TSHR
SCHEMBL2890448 0.76 PRSS1 (0.61) CYP1A2CYP3A4CYP2C9ALDH1A1TSHR
SCHEMBL14290247 0.76 ALDH1A1 (0.60) CYP1A2CYP3A4CYP2C9ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112805267-A Carboxamide and sulfonamide derivatives as TEAD modulators 豪夫迈·罗氏有限公司 2021-05-14 CN disclosed
EP-1440059-B1 3-AZABICYCLO(3.1.0)HEXANE DERIVATIVES AS OPIOID RECEPTOR ANTAGONISTS PFIZER PROD INC (US) 2008-04-16 EP disclosed
US-20070054950-A1 3-Azabicyclo[3.1.0]hexane derivatives PFIZER INC. 2007-03-08 US disclosed
US-7049335-B2 3-azabicyclo[3.1.0]hexane derivatives PFIZER INC. (US) 2006-05-23 US disclosed
US-20050171178-A1 3-Azabicyclo[3.1.0]hexane derivatives PFIZER INC 2005-08-04 US disclosed
CN-1610664-A 3-azabicyclo [3.1.0] hexane derivatives as opioid receptor antagonists PFIZER PROD INC (US) 2005-04-27 CN disclosed
EP-1440059-A1 3-AZABICYCLO(3.1.0)HEXANE DERIVATIVES AS OPIOID RECEPTOR ANTAGONISTS Pfizer Products Inc. (US) 2004-07-28 EP disclosed
US-20030087898-A1 3-azabicyclo[3.1.0]hexane derivatives PFIZER INC. 2003-05-08 US disclosed
WO-2003035622-A1 3-AZABICYCLO (3.1.0) HEXANE DERIVATIVES AS OPIOID RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2003-05-01 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 (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-20030087898-A1 3-azabicyclo[3.1.0]hexane derivatives OPRD1, OPRM1, OPRK1 CYP1A2 231/4885CYP3A4 279/4885CYP2C9 246/4885
US-20050171178-A1 3-Azabicyclo[3.1.0]hexane derivatives OPRD1, OPRM1, OPRK1 CYP1A2 269/4885CYP3A4 323/4885CYP2C9 210/4885
US-20070054950-A1 3-Azabicyclo[3.1.0]hexane derivatives OPRD1, OPRM1, OPRK1 CYP1A2 266/4885CYP3A4 318/4885CYP2C9 210/4885

“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.