SCHEMBL3052196

SCHEMBL3052196

CCC/C=C/N1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL3052198 1.00 MEN1 (0.32) MEN1KMT2ATDP1L3MBTL1ALDH1A1
SCHEMBL3306442 0.98 ALDH1A1 (0.33) L3MBTL1ALDH1A1
SCHEMBL10391901 0.98 ALDH1A1 (0.33) L3MBTL1ALDH1A1
SCHEMBL3310877 0.86 L3MBTL1 (0.38) MEN1KMT2ATDP1L3MBTL1ALDH1A1
SCHEMBL9326584 0.86 L3MBTL1 (0.38) MEN1KMT2ATDP1L3MBTL1ALDH1A1
SCHEMBL9326645 0.85 FAAH (0.43) MEN1KMT2ATDP1L3MBTL1ALDH1A1
SCHEMBL3307530 0.84 TSHR (0.39) MEN1KMT2ATDP1L3MBTL1ALDH1A1
SCHEMBL9870660 0.84 TSHR (0.39) MEN1KMT2ATDP1L3MBTL1ALDH1A1
SCHEMBL9225054 0.83 FAAH (0.47)
SCHEMBL9225064 0.83 FAAH (0.47)

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 13 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-2008132139-A2 NEW HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS UCB PHARMA S.A. (BE) 2008-11-06 WO disclosed
WO-2008132142-A2 NEW HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS UCB PHARMA S.A. (BE) 2008-11-06 WO disclosed
EP-0473208-B1 Liquid crystal compounds containing a pyrazine or pyridine ring MERCK PATENT GMBH (DE) 1995-03-15 EP disclosed
EP-0252961-B1 HETEROCYCLIC COMPOUNDS AS COMPONENTS OF LIQUID CRYSTAL PHASES MERCK PATENT GMBH (DE) 1995-02-08 EP disclosed
EP-0361157-B1 Phenyl pyridines HOFFMANN LA ROCHE (CH) 1994-03-02 EP disclosed
US-5284956-A Liquid crystalline mixtures containing 2-(2-fluorophenyl) pyridines HOFFMANN-LA ROCHE INC. (US) 1994-02-08 US disclosed
EP-0473208-A2 Liquid crystal compounds containing a pyrazine or pyridine ring MERCK PATENT GmbH (DE) 1992-03-04 EP disclosed
EP-0361157-A1 Phenyl pyridines F. HOFFMANN-LA ROCHE AG (CH) 1990-04-04 EP disclosed
US-4913837-A Heterocyclic compounds MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1990-04-03 US disclosed
WO-1987004158-A2 HETEROCYCLIC COMPOUNDS AS COMPONENTS OF LIQUID CRYSTAL PHASES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1987-07-16 WO disclosed
US-3932404-A REACTION WITH AMMONIA AND A BASIC AGENT PECHINEY UGINE KUHLMANN (FR) 1976-01-13 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 MEN1 1636/4885KMT2A 1778/4885TDP1 1377/4885

“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.