SCHEMBL2211523

SCHEMBL2211523

O=C1Nc2ccccc2CC1C1CCN(C(=O)O)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.41
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.39
BRD4 O60885 1/20 0.38
CREBBP Q92793 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
PYGL P06737 4/20 0.38
PYGM P11217 3/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
RIPK1 Q13546 2/20 0.36
HSD11B1 P28845 1/20 0.35
TSHR P16473 1/20 0.35
HPGD P15428 1/20 0.35
GPR119 Q8TDV5 1/20 0.34

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
SCHEMBL13313601 0.83 ACHE (0.58) ACHEGAAMAPTBRD4CREBBP
SCHEMBL2211837 0.83 GPR119 (0.54) MAPTKDM4EGPR119
SCHEMBL13801350 0.81 ACHE (0.43) ACHEGAAMAPTBRD4CREBBP
SCHEMBL14486764 0.80 ACHE (0.45) ACHEGAAMAPTBRD4CREBBP
SCHEMBL2213586 0.77 CREBBP (0.44) ACHEGAAMAPTBRD4CREBBP
SCHEMBL2211468 0.77 DRD2 (0.58) GAAMAPTBRD4CREBBPALDH1A1
Hydrochloric Acid SCHEMBL3661112 0.76 CREBBP (0.43) ACHEGAAMAPTBRD4CREBBP
SCHEMBL4675164 0.76 TNKS (0.43) GAAMAPTALDH1A1KDM4EHPGD
SCHEMBL5367597 0.74 SMN1; SMN2 (0.39) GAAMAPTALDH1A1PYGLPYGM
SCHEMBL5367595 0.74 SMN1; SMN2 (0.39) GAAMAPTALDH1A1PYGLPYGM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2013213-B1 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2011-07-27 EP disclosed
US-7544680-B2 Constrained compounds as CGRP-receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-09 US disclosed
EP-2013213-A2 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS Brystol-Myers Squibb Company (US) 2009-01-14 EP disclosed
US-7470679-B2 Constrained compounds as CGRP-receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-30 US disclosed
US-20080287422-A1 Constrained Compounds as CGRP-Receptor Antagonists BRISTOL-MYERS SQUIBB COMPANY 2008-11-20 US disclosed
US-7384930-B2 Constrained compounds as CGRP-receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-10 US disclosed
US-7384931-B2 Constrained compounds as CGRP-receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-10 US disclosed
WO-2007130860-A2 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-15 WO disclosed
WO-2007130927-A2 CONDENSED TRICYCLIC COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-15 WO disclosed
US-20070259850-A1 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2007-11-08 US disclosed
EP-1809633-A1 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS Brystol-Myers Squibb Company (US) 2007-07-25 EP disclosed
US-20060229447-A1 Constrained compounds as CGRP-receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2006-10-12 US disclosed
WO-2006052378-A1 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-05-18 WO disclosed
US-20060094707-A1 Constrained compounds as CGRP-receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2006-05-04 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 (4 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-20060229447-A1 Constrained compounds as CGRP-receptor antagonists CALCR, BDKRB2, CALCRL ACHE 699/4885GAA 3964/4885MAPT 1104/4885
US-20070259850-A1 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS CALCR, BDKRB2, CALCRL ACHE 699/4885GAA 3964/4885MAPT 1104/4885
US-20060094707-A1 Constrained compounds as CGRP-receptor antagonists CALCR, BDKRB2, CALCRL ACHE 699/4885GAA 3964/4885MAPT 1104/4885
US-20080287422-A1 Constrained Compounds as CGRP-Receptor Antagonists CALCR, BDKRB2, CALCRL ACHE 699/4885GAA 3964/4885MAPT 1104/4885

“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.