SCHEMBL6087789

SCHEMBL6087789

O=C1CCC(c2c[nH]c3c(Br)cccc23)C1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.55
IKBKB O14920 3/20 0.50
DYRK1A Q13627 2/20 0.41
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PIM1 P11309 1/20 0.36
PIM3 Q86V86 1/20 0.36
OPRM1 P35372 2/20 0.35
OPRK1 P41145 2/20 0.35
OPRL1 P41146 2/20 0.35
ENPP3 O14638 1/20 0.35
ENPP1 P22413 1/20 0.35
PARP1 P09874 1/20 0.34
HTR2C P28335 2/20 0.34
ADRB2 P07550 1/20 0.34
CLK1 P49759 1/20 0.34
GSK3B P49841 1/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34

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
SCHEMBL6087665 0.84 SLC6A4 (0.54) SLC6A4IKBKBOPRM1OPRK1OPRL1
SCHEMBL21636393 0.83 SLC6A4 (0.69) SLC6A4DYRK1AKDM4EPIM1PIM3
SCHEMBL6086912 0.83 SLC6A4 (0.55) SLC6A4IKBKBDYRK1AOPRM1OPRK1
SCHEMBL21636296 0.80 SLC6A4 (0.62) SLC6A4DYRK1APIM1PIM3OPRM1
SCHEMBL6087945 0.79 SLC6A4 (0.54) SLC6A4IKBKBPARP1HTR2CADRB2
SCHEMBL1413420 0.78 HTR2C (0.58) IKBKBKDM4EHTR2CADRB2
SCHEMBL6780047 0.78 SLC6A4 (0.59) SLC6A4IKBKBDYRK1AOPRM1OPRK1
SCHEMBL21624161 0.74 SLC6A4 (0.55) SLC6A4DYRK1AKDM4EPIM1PIM3
SCHEMBL6087543 0.73 IDO1 (0.56) SLC6A4IKBKB
SCHEMBL6087540 0.73 IDO1 (0.56) SLC6A4IKBKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7049314-B2 Sexual disorders; antidepressants; attention deficit hyperactivity, obsessive-compulsive, and/or post-traumatic stress disorder; drug abuse and addiction BRISTOL-MYERS SQUIBB COMPANY (US) 2006-05-23 US disclosed
US-20040077705-A1 Cyclopentyl indole derivatives BRISTOL-MYERS SQUIBB COMPANY 2004-04-22 US disclosed
WO-2004026236-A2 CYCLOPENTYL INDOLE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-04-01 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 (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-20040077705-A1 Cyclopentyl indole derivatives HTR5A, TPH1, TPH2 SLC6A4 11/4885IKBKB 320/4885DYRK1A 1851/4885

“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.