SCHEMBL2955241

SCHEMBL2955241

CC1CCN(Nc2ccccn2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
TSHR P16473 3/20 0.44
LMNA P02545 3/20 0.44
ACHE P22303 3/20 0.43
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
PKM P14618 1/20 0.41
NOS2 P35228 1/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
OGA O60502 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C19 P33261 1/20 0.40
GRM4 Q14833 1/20 0.40
MAPK10 P53779 1/20 0.39
GFER P55789 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
RAB9A P51151 1/20 0.38

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
SCHEMBL6344808 0.80 MEN1 (0.45) NPC1KMT2AMEN1PKMMAPK10
SCHEMBL17293714 0.79 MEN1 (0.41) NPC1TSHRACHEKMT2AMEN1
SCHEMBL17667966 0.79 OGA (0.41) NPC1TSHRLMNAACHEKMT2A
SCHEMBL27579953 0.79 KDM1A (0.46) NPC1TSHRKMT2AMEN1PKM
SCHEMBL6354669 0.79 KDM1A (0.46) NPC1TSHRKMT2AMEN1PKM
SCHEMBL1055871 0.76 BPTF (0.52) TSHRKMT2AMEN1HPGDCYP3A4
SCHEMBL471106 0.74 LMNA (0.57) NPC1TSHRLMNAKMT2AMEN1
SCHEMBL30885149 0.73 ACHE (0.47) NPC1TSHRLMNAACHEKMT2A
SCHEMBL25091032 0.72 NOS2 (0.52) NPC1LMNAKMT2AMEN1PKM
SCHEMBL31690862 0.72 NOS2 (0.52) NPC1LMNAKMT2AMEN1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7763621-B2 Vitronectin receptor antagonist derivatives, method for preparing same, use thereof as medicines and pharmaceutical compositions containing same GALAPAGOS SAS (FR) 2010-07-27 US disclosed
US-7582640-B2 Vitronectin receptor antagonist derivatives, method for preparing same, use thereof as medicines and pharmaceutical compositions containing same GALAPAGOS SAS (FR) 2009-09-01 US disclosed
EP-2070914-A1 New antagonist derivatives of the vitronectin receiver, method for preparing same, application of same as medicine and pharmaceutical compositions containing them Galapagos SAS (FR) 2009-06-17 EP disclosed
US-20090149476-A1 Novel vitronectin receptor antagonist derivatives, method for preparing same, use thereof as medicines and pharmaceutical compositions containing same GALAPAGOS SAS 2009-06-11 US disclosed
EP-1565467-B1 NOVEL VITRONECTIN RECEPTOR ANTAGONIST DERIVATIVES, METHOD FOR PREPARING SAME, USE THEREOF AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME GALAPAGOS SAS (FR) 2009-05-20 EP disclosed
US-20060052398-A1 Novel vitronectin receptor antagonist derivatives, method for preparing same, use thereof as medicines and pharmaceutical compositions containing same GALAPAGOS NV (BE) 2006-03-09 US disclosed
EP-0126951-B1 Phase transfer catalysts GEN ELECTRIC (US) 1994-07-20 EP disclosed
EP-0126951-A2 Phase transfer catalysts GENERAL ELECTRIC COMPANY (US) 1984-12-05 EP disclosed
US-4460778-A ALKYLDIORGANOAMINOPYRIDINIUM SALTS FOR MAKING AROMATIC ETHER IMIDES GENERAL ELECTRIC COMPANY (US) 1984-07-17 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 (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-20060052398-A1 Novel vitronectin receptor antagonist derivatives, method for preparing same, use thereof as medicines and pharmaceutical compositions containing same ADGRF1, C5AR2, ADGRE5 NPC1 1650/4885TSHR 593/4885LMNA 376/4885
US-20090149476-A1 Novel vitronectin receptor antagonist derivatives, method for preparing same, use thereof as medicines and pharmaceutical compositions containing same ADGRF1, C5AR2, ADGRE5 NPC1 1650/4885TSHR 593/4885LMNA 376/4885

“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.