SCHEMBL4799822

SCHEMBL4799822

CCC(=O)NC1Cc2ccccc2N(OC)C1=O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.49
MTNR1B P49286 6/20 0.49
MME P08473 1/20 0.43
ACE P12821 1/20 0.43
MAPT P10636 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX15 P16050 1/20 0.41
PYGL P06737 7/20 0.41
PYGM P11217 4/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL4799807 1.00 MTNR1A (0.49) MTNR1AMTNR1BMMEACEMAPT
SCHEMBL14193208 0.86 PYGL (0.43) PYGLPYGM
SCHEMBL4800980 0.86 PYGL (0.43) PYGLPYGM
SCHEMBL4800991 0.86 PYGL (0.43) PYGLPYGM
SCHEMBL13625990 0.80 MTNR1A (0.49) MTNR1AMTNR1BMMEACEMAPT
SCHEMBL14193205 0.80 SLC6A2 (0.50) PYGLPYGM
SCHEMBL9288876 0.77 MMP1 (0.54) MMEACE
SCHEMBL13626167 0.74 ACE (0.49) MTNR1AMTNR1BMMEACE
SCHEMBL7416568 0.74 SCN9A (0.43) ACE
SCHEMBL7417159 0.73 MMP1 (0.44) MMEACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE40278-E1 Heterocyclic amines having central nervous system activity PHARMACIA & UPJOHN COMPANY (US) 2008-04-29 US disclosed
US-7074927-B2 Heterocyclic amines having central nervous system activity PHARMACIA & UPJOHN COMPANY (US) 2006-07-11 US disclosed
US-20050107378-A1 Heterocyclic amines having central nervous system activity ROMERO ARTHUR G (US) 2005-05-19 US disclosed
US-RE38452-E1 SUITABLE FOR TREATING ANXIOLYTIC DISORDER, SCHIZOPHRENIA, PARKINSON'S DISEASE, ANXIETY PHARMACIA & UPJOHN COMPANY 2004-03-02 US disclosed
US-20010009916-A1 HETEROCYCLIC AMINES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY ROMERO ARTHUR G (US) 2001-07-26 US disclosed
EP-0724584-B1 HETEROCYCLIC AMINES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY UPJOHN CO (US) 1997-11-05 EP disclosed
US-5652245-A Heterocyclic amines having central nervous system activity PHARMACIA & UPJOHN COMPANY (US) 1997-07-29 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-20010009916-A1 HETEROCYCLIC AMINES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY CNR1, CNR2, OPRD1 MTNR1A 64/4885MTNR1B 91/4885MME 2165/4885
US-20050107378-A1 Heterocyclic amines having central nervous system activity CNR1, CNR2, NPY2R MTNR1A 77/4885MTNR1B 109/4885MME 3444/4885

“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.