SCHEMBL3053099

SCHEMBL3053099

CCOC(=O)CC(CCBr)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.58
F10 P00742 4/20 0.52
ALDH1A1 P00352 2/20 0.48
TSHR P16473 2/20 0.47
PRSS1 P07477 1/20 0.46
MMP8 P22894 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
CYP2D6 P10635 2/20 0.41
CYP1A2 P05177 1/20 0.41
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL2719599 0.88 F2 (0.61) F2F10ALDH1A1TSHRPRSS1
SCHEMBL232194 0.87 F2 (0.59) F2F10ALDH1A1TSHRPRSS1
SCHEMBL10889865 0.85 F2 (0.58) F2F10ALDH1A1TSHRPRSS1
SCHEMBL14035035 0.85 F2 (0.58) F2F10ALDH1A1TSHRPRSS1
SCHEMBL28008718 0.85 F2 (0.58) F2F10ALDH1A1TSHRPRSS1
SCHEMBL13136720 0.84 ALDH1A1 (0.54) F2F10ALDH1A1TSHRPRSS1
SCHEMBL28041491 0.84 CYP3A4 (0.49) F2ALDH1A1MMP8CYP2D6CYP1A2
SCHEMBL30040482 0.84 F2 (0.56) F2F10ALDH1A1TSHRPRSS1
SCHEMBL4405154 0.84 F2 (0.56) F2F10ALDH1A1TSHRPRSS1
SCHEMBL7141857 0.83 F2 (0.55) F2F10ALDH1A1TSHRMMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222326-A1 New Heterocyclic Derivatives Useful For The Treatment of CNS Disorders UCB PHARMA, S.A. (BE) 2010-09-02 US disclosed
EP-2152262-A2 NEW HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS UCB Pharma, S.A. (BE) 2010-02-17 EP disclosed
WO-2008132142-A2 NEW HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS UCB PHARMA S.A. (BE) 2008-11-06 WO disclosed
WO-2008132139-A2 NEW HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS UCB PHARMA S.A. (BE) 2008-11-06 WO disclosed
US-4609673-A ANTILIPEMIC AGENTS BOEHRINGER MANNHEIM GMBH (DE) 1986-09-02 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-20100222326-A1 New Heterocyclic Derivatives Useful For The Treatment of CNS Disorders CNR2, CNR1, SLC18A2 F2 2894/4885F10 2825/4885ALDH1A1 1186/4885

“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.