SCHEMBL6844239

SCHEMBL6844239

O=C1C[C@@H]2C[C@H](NCc3ccccc3)C[C@@H]2C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 4/20 0.49
FYN P06241 1/20 0.49
BCHE P06276 3/20 0.45
ACHE P22303 3/20 0.45
BACE1 P56817 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
RAB9A P51151 1/20 0.45
KDM1A O60341 1/20 0.45
MAOA P21397 1/20 0.45
FABP6 P51161 1/20 0.43
RB1 P06400 1/20 0.43
HRH2 P25021 1/20 0.41
ADRA1B P35368 1/20 0.41
OPRK1 P41145 1/20 0.41
SLC6A3 Q01959 1/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRL1 P41146 1/20 0.41

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
SCHEMBL7161614 1.00 GRIN2B (0.49) GRIN2BFYNBCHEACHEBACE1
SCHEMBL7521305 1.00 GRIN2B (0.49) GRIN2BFYNBCHEACHEBACE1
SCHEMBL22674521 0.77 GRIN2B (0.50) GRIN2BFYNBCHEACHEBACE1
SCHEMBL23948575 0.77 GRIN2B (0.50) GRIN2BFYNBCHEACHEBACE1
SCHEMBL10039743 0.77 GRIN2B (0.50) GRIN2BFYNBCHEACHEBACE1
SCHEMBL6269523 0.77 JAK2 (0.50) ACHEKMT2A
SCHEMBL7723868 0.76 GRIN2B (0.66) GRIN2BFYNBCHEACHEBACE1
SCHEMBL571765 0.75 GRIN2B (0.71) GRIN2BBCHEACHEBACE1MEN1
SCHEMBL14699811 0.75 ACHE (0.49) GRIN2BFYNBCHEACHEBACE1
SCHEMBL13896045 0.75 GRIN2B (0.51) GRIN2BFYNBCHEACHEBACE1

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
US-20040116443-A1 Dopamine D4 ligands for the treatment of novelty-seeking disorders PFIZER INC 2004-06-17 US claimed
US-20030158208-A1 Dopamine D4 ligands for the treatment of novelty-seeking disorders PFIZER INC. 2003-08-21 US claimed
US-6372762-B1 HETEROCYCLIC COMPOUNDS FOR NERVOUS SYSTEM DISORDERS PFIZER INC. 2002-04-16 US claimed
EP-1177792-A2 Dopamine D4 Ligands for the treatment of novelty-seeking disorders Pfizer Products Inc. (US) 2002-02-06 EP claimed
EP-0953567-A2 Bicyclic substituted piperazine-, piperidine- and tetrahydropyridine derivatives, their preparation and their use as agents with central dopaminergic (dopamine D4 receptor) activity Pfizer Products Inc. (US) 1999-11-03 EP claimed
US-20040116443-A1 Dopamine D4 ligands for the treatment of novelty-seeking disorders PFIZER INC 2004-06-17 US disclosed
US-20030158208-A1 Dopamine D4 ligands for the treatment of novelty-seeking disorders PFIZER INC. 2003-08-21 US disclosed
US-6372762-B1 HETEROCYCLIC COMPOUNDS FOR NERVOUS SYSTEM DISORDERS PFIZER INC. 2002-04-16 US disclosed
EP-1177792-A2 Dopamine D4 Ligands for the treatment of novelty-seeking disorders Pfizer Products Inc. (US) 2002-02-06 EP disclosed
EP-0953567-A2 Bicyclic substituted piperazine-, piperidine- and tetrahydropyridine derivatives, their preparation and their use as agents with central dopaminergic (dopamine D4 receptor) activity Pfizer Products Inc. (US) 1999-11-03 EP 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-20030158208-A1 Dopamine D4 ligands for the treatment of novelty-seeking disorders SLC6A3, DRD4, DRD2 GRIN2B 53/4885FYN 686/4885BCHE 1128/4885

“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.