SCHEMBL4266579

SCHEMBL4266579

N[C@H]1CC[C@@H](NCc2ccccc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 4/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
RAB9A P51151 1/20 0.62
ACHE P22303 6/20 0.57
BACE1 P56817 6/20 0.57
BCHE P06276 4/20 0.57
OPRM1 P35372 2/20 0.51
OPRL1 P41146 2/20 0.51
CARM1 Q86X55 1/20 0.50
PRMT6 Q96LA8 1/20 0.50
FYN P06241 1/20 0.49
HRH3 Q9Y5N1 1/20 0.47
FABP6 P51161 1/20 0.47

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
SCHEMBL4266585 1.00 GRIN2B (0.62) GRIN2BMEN1KMT2ARAB9AACHE
SCHEMBL5694934 1.00 GRIN2B (0.62) GRIN2BMEN1KMT2ARAB9AACHE
Hydrochloric Acid SCHEMBL27637041 0.98 MEN1 (0.66) GRIN2BMEN1KMT2ARAB9AACHE
SCHEMBL663239 0.90 GRIN2B (0.74) GRIN2BMEN1KMT2ARAB9AACHE
SCHEMBL29577700 0.90 MEN1 (0.81) GRIN2BMEN1KMT2ARAB9AACHE
Hydrochloric Acid SCHEMBL2550113 0.88 MEN1 (0.78) GRIN2BMEN1KMT2ARAB9AACHE
SCHEMBL20999768 0.87 GRIN2B (0.57) GRIN2BMEN1KMT2ARAB9AACHE
Methyl Alcohol SCHEMBL27513196 0.84 GRIN2B (0.67) GRIN2BMEN1KMT2ARAB9AACHE
SCHEMBL3184557 0.84 GRIN2B (0.67) GRIN2BMEN1KMT2ARAB9AACHE
Bicarbonate SCHEMBL11118446 0.82 GRIN2B (0.65) GRIN2BMEN1KMT2ARAB9AACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090036448-A1 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMECUTICAL CO., LTD. (JP) 2009-02-05 US disclosed
US-20080090863-A1 Pyridine Derivatives and Their Use as Medicaments for Treating Diseases Related to Mch Receptor TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-04-17 US disclosed
WO-2006035967-A1 PYRIDINE DERIVATIVES AND THEIR USE AS MEDICAMENTS FOR TREATING DISEASES RELATED TO MCH RECEPTOR TAISHO PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 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 (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-20080090863-A1 Pyridine Derivatives and Their Use as Medicaments for Treating Diseases Related to Mch Receptor MCHR1, GPR119, MCHR2 GRIN2B 178/4885MEN1 1056/4885KMT2A 818/4885
US-20090036448-A1 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF GPR119, HCRTR2, MCHR1 GRIN2B 194/4885MEN1 2494/4885KMT2A 857/4885

“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.