SCHEMBL3690761

SCHEMBL3690761

CC(C(=O)OC1CC2CCC(C1)N2C)c1ccc(Br)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 1.00
CYP1A2 P05177 1/20 1.00
TSHR P16473 1/20 1.00
LMNA P02545 2/20 0.56
CYP2C9 P11712 1/20 0.56
HSD17B10 Q99714 1/20 0.56
CHRM2 P08172 5/20 0.55
CHRM1 P11229 5/20 0.55
CHRM3 P20309 5/20 0.55
CHRM5 P08912 4/20 0.55
CHRM4 P08173 3/20 0.55
BLM P54132 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
HTR2C P28335 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
POLB P06746 1/20 0.53
ADRA2C P18825 1/20 0.53
ADRA1A P35348 1/20 0.53

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
SCHEMBL32666077 0.86 CYP2D6 (0.76) CYP2D6CYP1A2TSHRLMNACYP2C9
SCHEMBL23495022 0.86 CYP2D6 (0.76) CYP2D6CYP1A2TSHRLMNACYP2C9
SCHEMBL23495024 0.86 CYP2D6 (0.76) CYP2D6CYP1A2TSHRLMNACYP2C9
SCHEMBL23495023 0.86 CYP2D6 (0.76) CYP2D6CYP1A2TSHRLMNACYP2C9
SCHEMBL23494998 0.86 CYP2D6 (0.76) CYP2D6CYP1A2TSHRLMNACYP2C9
SCHEMBL22394823 0.86 CYP2D6 (0.76) CYP2D6CYP1A2TSHRLMNACYP2C9
SCHEMBL19136281 0.86 CYP2D6 (0.76) CYP2D6CYP1A2TSHRLMNACYP2C9
SCHEMBL23494999 0.86 CYP2D6 (0.76) CYP2D6CYP1A2TSHRLMNACYP2C9
SCHEMBL22394825 0.86 CYP2D6 (0.76) CYP2D6CYP1A2TSHRLMNACYP2C9
SCHEMBL22394824 0.86 CYP2D6 (0.76) CYP2D6CYP1A2TSHRLMNACYP2C9

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-9034798-B2 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions CAPROTEC BIOANALYTICS GMBH (DE) 2015-05-19 US disclosed
US-8569481-B2 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions PHARMACEUTICALS, INC. (US) 2013-10-29 US disclosed
US-20110118136-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions KOESTER HUBERT 2011-05-19 US disclosed
US-20100298168-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions HK PHARMACEUTICALS, INC. 2010-11-25 US disclosed
US-20100248264-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions HK PHARMACEUTICALS, INC. 2010-09-30 US disclosed
EP-2148673-A1 CINNAMIDE COMPOUNDS FOR DEMENTIA Eisai R&D Management Co., Ltd. (JP) 2010-02-03 EP disclosed
WO-2008139984-A1 CINNAMIDE COMPOUNDS FOR DEMENTIA EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-11-20 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-20110118136-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions PTMS, QPCTL, SRMS CYP2D6 4323/4885CYP1A2 4732/4885TSHR 3135/4885
US-20100298168-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions CHLSN, PTMS, SRMS CYP2D6 4202/4885CYP1A2 4648/4885TSHR 4673/4885

“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.