SCHEMBL4986629

SCHEMBL4986629

CC(=O)NCC(N)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 10/20 0.58
MTNR1B P49286 10/20 0.58
GBA1 P04062 1/20 0.49
BCAT2 O15382 1/20 0.47
PRMT3 O60678 1/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL1206387 0.85 GBA1 (0.51) MTNR1AMTNR1BGBA1BCAT2PRMT3
SCHEMBL14861144 0.85 GBA1 (0.51) MTNR1AMTNR1BGBA1BCAT2PRMT3
SCHEMBL14861146 0.85 GBA1 (0.51) MTNR1AMTNR1BGBA1BCAT2PRMT3
Hydrochloric Acid SCHEMBL9716119 0.83 GBA1 (0.50) MTNR1AMTNR1BGBA1BCAT2PRMT3
SCHEMBL8528168 0.83 BCAT2 (0.68) GBA1BCAT2PRMT3NPC1RAB9A
SCHEMBL2091812 0.82 MTNR1A (0.67) MTNR1AMTNR1BBCAT2NPC1RAB9A
SCHEMBL3343976 0.82 TSHR (0.43) MTNR1AMTNR1BNPC1
SCHEMBL3343979 0.82 TSHR (0.43) MTNR1AMTNR1BNPC1
SCHEMBL4989290 0.82 GBA1 (0.50) MTNR1AMTNR1BGBA1BCAT2PRMT3
SCHEMBL390578 0.82 ADRB2 (0.47) MTNR1AMTNR1BNPC1RAB9A

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
CN-104470523-B Compound based on imidazo [1,2 b] pyridazine, comprising their compositions and its application method 莱西肯医药有限公司 2017-07-11 CN disclosed
US-7393958-B2 Triamide-substituted heterobicyclic compounds PFIZER, INC. (US) 2008-07-01 US disclosed
US-7368573-B2 Triamide-substituted heterobicyclic compounds PFIZER INC. (US) 2008-05-06 US disclosed
US-20070093525-A1 Triamide-substituted heterobicyclic compounds PFIZER INC 2007-04-26 US disclosed
EP-1716137-A1 SUBSTITUTED QUINOLINE COMPOUNDS Pfizer Products Incorporated (US) 2006-11-02 EP disclosed
US-20060223851-A1 TRIAMIDE-SUBSTITUTED HETEROBICYCLIC COMPOUNDS BERTINATO PETER 2006-10-05 US disclosed
WO-2005080373-A1 SUBSTITUTED QUINOLINE COMPOUNDS PFIZER PRODUCTS INC. (US) 2005-09-01 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-20060223851-A1 TRIAMIDE-SUBSTITUTED HETEROBICYCLIC COMPOUNDS APOB, MTPN, CTRB1 MTNR1A 536/4885MTNR1B 72/4885GBA1 426/4885
US-20070093525-A1 Triamide-substituted heterobicyclic compounds APOB, MTPN, CTRB1 MTNR1A 536/4885MTNR1B 72/4885GBA1 426/4885

“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.