SCHEMBL8402502

SCHEMBL8402502

CCC1COCc2ccc(Br)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.40
PNMT P11086 2/20 0.40
ADRA2B P18089 2/20 0.40
ADRA2C P18825 2/20 0.40
HTR2A P28223 4/20 0.36
HTR2C P28335 4/20 0.36
HTR2B P41595 4/20 0.36
OPRM1 P35372 2/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
MAPT P10636 1/20 0.31
BACE1 P56817 1/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
CHEK2 O96017 1/20 0.30
ROS1 P08922 1/20 0.30
MARK3 P27448 1/20 0.30
LTK P29376 1/20 0.30
FLT4 P35916 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
SCHEMBL18293065 0.78 HTR2A (0.50) ADRA2APNMTADRA2BADRA2CHTR2A
SCHEMBL8367488 0.76 HTR2A (0.34) HTR2AHTR2C
SCHEMBL8402505 0.76 BACE1 (0.42) HTR2AHTR2CHTR2BBACE1
SCHEMBL3361207 0.75 HTR2A (0.46) ADRA2APNMTADRA2BADRA2CHTR2A
SCHEMBL15732049 0.75 KDM1A (0.37) HTR2AHTR2CHTR2BOPRM1OPRD1
SCHEMBL3162257 0.75 HTR2A (0.36) ADRA2APNMTADRA2BADRA2CHTR2A
SCHEMBL8116867 0.74 HTR2A (0.36) ADRA2APNMTADRA2BADRA2CHTR2A
SCHEMBL27617880 0.73 POLB (0.31) BACE1MEN1POLBKMT2A
SCHEMBL23704762 0.71 HTR2A (0.33) HTR2AHTR2CHTR2BOPRM1OPRD1
SCHEMBL27728298 0.71 HTR2A (0.33) HTR2AHTR2CHTR2BOPRM1OPRD1

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
EP-2920166-B1 BICYCLIC UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF PAIN ARRAY BIOPHARMA INC (US) 2016-11-02 EP disclosed
WO-2014078454-A1 BICYCLIC UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF PAIN ARRAY BIOPHARMA INC. (US) 2014-05-22 WO disclosed
US-7351738-B2 Substituted ureas and carbamates ELAN PHARMACEUTICALS, INC. (US) 2008-04-01 US disclosed
US-20040209925-A1 Substituted ureas and carbamates ELAN PHARMACEUTICALS, INC. 2004-10-21 US 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 (1 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-20040209925-A1 Substituted ureas and carbamates BACE1, BACE2, PSEN1 ADRA2A 3985/4885PNMT 1161/4885ADRA2B 3368/4885

“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.