SCHEMBL6971389

SCHEMBL6971389

CC1C(=O)N(O)c2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 7/20 0.64
OPRM1 P35372 2/20 0.44
OPRK1 P41145 2/20 0.44
OPRL1 P41146 2/20 0.44
GOT1 P17174 1/20 0.43
BRD4 O60885 1/20 0.43
CCL2 P13500 1/20 0.43
KYAT1 Q16773 1/20 0.43
KYAT3 Q6YP21 1/20 0.43
NOTUM Q6P988 1/20 0.40
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
GPR3 P46089 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36

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
SCHEMBL31381632 1.00 AADAT (0.64) AADATOPRM1OPRK1OPRL1GOT1
SCHEMBL22631177 0.79 AADAT (0.58) AADATGOT1KYAT1KYAT3NOTUM
SCHEMBL3786010 0.78 AADAT (1.00) AADATGOT1KYAT1KYAT3NOTUM
SCHEMBL16612984 0.78 AADAT (1.00) AADATGOT1KYAT1KYAT3NOTUM
SCHEMBL3779303 0.78 AADAT (1.00) AADATGOT1KYAT1KYAT3NOTUM
SCHEMBL769455 0.78 BRD4 (0.49) AADATOPRM1OPRK1OPRL1BRD4
SCHEMBL26017423 0.78 BRD4 (0.49) AADATOPRM1OPRK1OPRL1BRD4
SCHEMBL29557464 0.78 BRD4 (0.49) AADATOPRM1OPRK1OPRL1BRD4
Hydrochloric Acid SCHEMBL16612968 0.77 AADAT (0.97) AADATGOT1KYAT1KYAT3NOTUM
Hydrochloric Acid SCHEMBL16612967 0.77 AADAT (0.97) AADATGOT1KYAT1KYAT3NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8076501-B2 Photogenerated reagents LC SCIENCES LC 2011-12-13 US disclosed
US-20100137600-A1 Photogenerated reagents LC SCIENCES LC 2010-06-03 US disclosed
US-7544829-B2 Photogenerated reagents LC SCIENCES LC 2009-06-09 US disclosed
US-20080009630-A1 Photogenerated reagents LC SCIENCES LC 2008-01-10 US disclosed
US-7235670-B2 Photogenerated reagents Gao, Xiaolian 2007-06-26 US disclosed
EP-1341759-A2 3-SUBSTITUTED OXINDOLE BETA 3 AGONISTS ELI LILLY AND COMPANY (US) 2003-09-10 EP disclosed
WO-2002038544-A2 3-SUBSTITUTED OXINDOLE BETA 3 AGONISTS ELI LILLY AND COMPANY (US) 2002-05-16 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-20080009630-A1 Photogenerated reagents PPOX, PGR, GRHPR AADAT 1342/4885OPRM1 4446/4885OPRK1 4083/4885
US-20100137600-A1 Photogenerated reagents PPOX, PGR, GRHPR AADAT 1342/4885OPRM1 4446/4885OPRK1 4083/4885

“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.