SCHEMBL4799619

SCHEMBL4799619

CN1C[C@H](NC(=O)O)Cc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 8/20 0.53
MTNR1B P49286 8/20 0.53
RIPK1 Q13546 1/20 0.46
GRM7 Q14831 2/20 0.42
NOTUM Q6P988 1/20 0.42
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
TEAD1 P28347 1/20 0.39
HRH3 Q9Y5N1 2/20 0.39

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
SCHEMBL430403 1.00 MTNR1A (0.53) MTNR1AMTNR1BRIPK1GRM7NOTUM
SCHEMBL2981090 0.78 HPGD (0.52) MTNR1AMTNR1BNPC1LMNARAB9A
Hydrochloric Acid SCHEMBL26113748 0.78 SLC6A2 (0.52) MTNR1AMTNR1BRIPK1NOTUM
SCHEMBL429257 0.77 MTNR1A (0.77) MTNR1AMTNR1BTEAD1
SCHEMBL429595 0.77 TEAD1 (0.44) NOTUMTEAD1
SCHEMBL10384510 0.76 MAPT (0.57) MTNR1AMTNR1BNOTUM
SCHEMBL9851524 0.76 GRM7 (0.59) MTNR1AMTNR1BGRM7NPC1LMNA
SCHEMBL25332406 0.75 MTNR1A (0.62) MTNR1AMTNR1BGRM7LMNA
SCHEMBL25333283 0.74 MTNR1A (0.61) MTNR1AMTNR1BLMNA
SCHEMBL25330960 0.74 POLB (0.55) MTNR1AMTNR1BNPC1LMNARAB9A

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 claimed
US-20010009916-A1 HETEROCYCLIC AMINES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY ROMERO ARTHUR G (US) 2001-07-26 US claimed
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

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 91/4885RIPK1 4296/4885
US-20050107378-A1 Heterocyclic amines having central nervous system activity CNR1, CNR2, NPY2R MTNR1A 77/4885MTNR1B 109/4885RIPK1 4517/4885

“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.