SCHEMBL4989290

SCHEMBL4989290

CCC(=O)NCC(N)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 3/20 0.50
MTNR1A P48039 2/20 0.48
MTNR1B P49286 2/20 0.48
ASAH1 Q13510 1/20 0.47
BCAT2 O15382 1/20 0.45
MMP2 P08253 2/20 0.44
RECQL P46063 1/20 0.44
SLC1A2 P43004 1/20 0.43
SLC1A1 P43005 1/20 0.43
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.42
PRMT3 O60678 1/20 0.42
MAPT P10636 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 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
SCHEMBL4986585 0.87 ASAH1 (0.55) GBA1MTNR1AMTNR1BASAH1MMP2
SCHEMBL4987614 0.84 ASAH1 (0.63) ASAH1MMP2SLC1A2SLC1A1POLB
SCHEMBL4986629 0.82 MTNR1A (0.58) GBA1MTNR1AMTNR1BBCAT2PRMT3
SCHEMBL14861144 0.82 GBA1 (0.51) GBA1MTNR1AMTNR1BBCAT2PRMT3
SCHEMBL14861146 0.82 GBA1 (0.51) GBA1MTNR1AMTNR1BBCAT2PRMT3
SCHEMBL1206387 0.82 GBA1 (0.51) GBA1MTNR1AMTNR1BBCAT2PRMT3
SCHEMBL12846944 0.81 ASAH1 (0.68) MTNR1AMTNR1BASAH1BCAT2LMNA
SCHEMBL12673568 0.81 NPC1 (0.56) MTNR1AMTNR1BASAH1POLBALDH1A1
SCHEMBL8528168 0.80 BCAT2 (0.68) GBA1BCAT2LMNAPRMT3
Hydrochloric Acid SCHEMBL9716119 0.80 GBA1 (0.50) GBA1MTNR1AMTNR1BBCAT2PRMT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7468378-B2 Substituted quinoline compounds PFIZER INC. (US) 2008-12-23 US 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
US-20050234099-A1 Substituted quinoline compounds PFIZER INC 2005-10-20 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 (3 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-20050234099-A1 Substituted quinoline compounds APOB, APOL1, MTPN GBA1 606/4885MTNR1A 230/4885MTNR1B 29/4885
US-20060223851-A1 TRIAMIDE-SUBSTITUTED HETEROBICYCLIC COMPOUNDS APOB, MTPN, CTRB1 GBA1 426/4885MTNR1A 536/4885MTNR1B 72/4885
US-20070093525-A1 Triamide-substituted heterobicyclic compounds APOB, MTPN, CTRB1 GBA1 426/4885MTNR1A 536/4885MTNR1B 72/4885

“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.