SCHEMBL3046672

SCHEMBL3046672

O=C1CCCCN1Cn1c(-c2ccccc2)cc2cc(F)ccc21

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PER2 O15055 6/20 0.47
CRY2 Q49AN0 2/20 0.47
NTRK1 P04629 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 1/20 0.41
PTGS2 P35354 1/20 0.40
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.38
THRB P10828 1/20 0.38
ACLY P53396 3/20 0.37
GRIK1 P39086 1/20 0.37
GRIK2 Q13002 1/20 0.37

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
SCHEMBL3046235 0.87 L3MBTL1 (0.50) PER2NTRK1L3MBTL1PTGS2KMT2A
SCHEMBL1666494 0.75 PER2 (0.42) PER2CRY2NTRK1L3MBTL1PTGS2
SCHEMBL17680501 0.71 L3MBTL1 (0.71) NTRK1L3MBTL1LMNAKMT2ATHRB
SCHEMBL6822028 0.71 PTGS2 (0.58) NTRK1L3MBTL1PTGS2MAPTACLY
SCHEMBL6824420 0.69 PTGS2 (0.59) NTRK1LMNAPTGS2MAPTACLY
SCHEMBL8762443 0.68 NTRK1 (0.48) NTRK1L3MBTL1PTGS2ACLY
SCHEMBL28399151 0.67 ALDH1A1 (0.56) NTRK1L3MBTL1PTGS2KMT2AACLY
SCHEMBL23469527 0.66 PER2 (0.65) PER2CRY2
SCHEMBL11688437 0.64 KMT2A (0.66) NTRK1MEN1MAPTKMT2AACLY
SCHEMBL8762468 0.64 CCR2 (0.55) NTRK1PTGS2ACLY

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 6 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 claimed
EP-2152262-A2 NEW HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS UCB Pharma, S.A. (BE) 2010-02-17 EP claimed
WO-2008132142-A2 NEW HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS UCB PHARMA S.A. (BE) 2008-11-06 WO claimed
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

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 PER2 2474/4885CRY2 1888/4885NTRK1 757/4885

“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.