SCHEMBL2222201

SCHEMBL2222201

CN1CCC(NC(=O)c2cc[c]cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.51
PRMT6 Q96LA8 1/20 0.51
SLC6A5 Q9Y345 2/20 0.50
HDAC4 P56524 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
LMNA P02545 1/20 0.47
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
CYP1A2 P05177 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46

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
SCHEMBL14797275 0.85 CRBN (0.55) HDAC4NPSR1MEN1KMT2A
SCHEMBL2156713 0.85 RAB9A (0.58) LMNARAB9ANPC1CYP1A2HPGD
SCHEMBL363917 0.84 CARM1 (0.69) CARM1PRMT6RAB9ANPC1SMN1; SMN2
SCHEMBL25511894 0.83 SLC6A5 (0.54) CARM1PRMT6SLC6A5HDAC4HDAC6
SCHEMBL10195592 0.83 NPC1 (0.69) CARM1PRMT6SLC6A5HDAC4HDAC6
SCHEMBL25512450 0.83 SLC6A5 (0.54) CARM1PRMT6SLC6A5HDAC4HDAC6
SCHEMBL1202785 0.83 SLC6A5 (0.54) CARM1PRMT6SLC6A5HDAC4HDAC6
Hydrochloric Acid SCHEMBL18704553 0.83 CARM1 (0.68) CARM1PRMT6RAB9ANPC1SMN1; SMN2
SCHEMBL16222287 0.83 CARM1 (0.56) CARM1PRMT6SLC6A5HDAC4HDAC6
SCHEMBL1115076 0.82 NPC1 (0.57) LMNARAB9ANPC1CYP1A2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2758380-B1 BENZOIC ACID DERIVATIVES AS EIF4E INHIBITORS HOFFMANN LA ROCHE (CH) 2015-10-21 EP disclosed
US-9073881-B2 Benzoic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2015-07-07 US disclosed
EP-2758380-A1 BENZOIC ACID DERIVATIVES AS EIF4E INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-07-30 EP disclosed
WO-2013041468-A1 BENZOIC ACID DERIVATIVES AS EIF4E INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-28 WO disclosed
US-20130079346-A1 BENZOIC ACID DERIVATIVES HOFFMANN-LA ROCHE INC. 2013-03-28 US disclosed
US-20120329784-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC 2012-12-27 US disclosed
EP-2523559-A1 COMPOUNDS AND METHODS GlaxoSmithKline LLC (US) 2012-11-21 EP disclosed
CN-102791131-A Compounds and methods GLAXOSMITHKLINE LLC 2012-11-21 CN disclosed
WO-2011088027-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2011-07-21 WO disclosed
WO-2011088031-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2011-07-21 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 (2 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-20120329784-A1 COMPOUNDS AND METHODS RB1, DHFR, NQO1 CARM1 402/4885PRMT6 8/4885SLC6A5 3991/4885
US-20130079346-A1 BENZOIC ACID DERIVATIVES EIF4EBP1, EIF4E, EIF4A2 CARM1 340/4885PRMT6 480/4885SLC6A5 4547/4885

“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.