SCHEMBL3623604

SCHEMBL3623604

CC(C)(N)Cc1cccc(CC(=O)O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.62
CYP2C19 P33261 1/20 0.62
SLC6A2 P23975 1/20 0.55
TAAR1 Q96RJ0 1/20 0.55
AKR1B1 P15121 1/20 0.48
NR1H4 Q96RI1 2/20 0.47
KDM4E B2RXH2 3/20 0.42
MAPT P10636 3/20 0.42
HPGD P15428 3/20 0.42
HSD17B10 Q99714 3/20 0.42
HIF1A Q16665 2/20 0.42
POLB P06746 2/20 0.42
GAA P10253 2/20 0.42
APEX1 P27695 2/20 0.42
BLM P54132 2/20 0.42
PMP22 Q01453 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RGS12 O14924 1/20 0.42
LMNA P02545 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
SCHEMBL14090644 0.86 SLC6A2 (0.50) CYP1A2CYP2C19SLC6A2TAAR1NR1H4
SCHEMBL15782855 0.86 CYP1A2 (0.57) CYP1A2CYP2C19AKR1B1NR1H4KDM4E
SCHEMBL1561003 0.84 CYP1A2 (0.55) CYP1A2CYP2C19AKR1B1NR1H4KDM4E
SCHEMBL2452510 0.82 SLC7A5 (0.57) CYP1A2CYP2C19SLC6A2TAAR1KDM4E
SCHEMBL70565 0.81 AKR1B1 (0.71) CYP1A2CYP2C19AKR1B1KDM4EMAPT
SCHEMBL13807613 0.81 ALDH1A1 (0.59) CYP1A2CYP2C19SLC6A2TAAR1TDP1
SCHEMBL14090658 0.80 LMNA (0.58) CYP1A2CYP2C19AKR1B1NR1H4KDM4E
SCHEMBL2452466 0.80 SMN1; SMN2 (0.44) CYP1A2CYP2C19SLC6A2TAAR1MAPT
SCHEMBL14478253 0.79 FOLH1 (0.56) SLC6A2TAAR1NR1H4HIF1ASMN1; SMN2
Hydrochloric Acid SCHEMBL8922940 0.79 AKR1B1 (0.68) CYP1A2CYP2C19AKR1B1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1730103-B1 FORMAMIDE DERIVATIVES USEFUL AS ADRENOCEPTOR PFIZER LTD (GB) 2010-05-26 EP disclosed
US-7629358-B2 Compounds useful for the treatment of diseases PFIZER INC (US) 2009-12-08 US disclosed
US-7547731-B2 Formamide derivatives for the treatment of diseases PFIZER INC (US) 2009-06-16 US disclosed
US-7538141-B2 Compounds for the treatment of diseases PFIZER INC. 2009-05-26 US disclosed
US-20080207689-A1 Formamide Derivatives For The Treatment of Diseases PFIZER INC 2008-08-28 US disclosed
US-7241810-B2 Formamide derivatives for the treatment of diseases PFIZER INC (US) 2007-07-10 US disclosed
WO-2007010356-A2 PROCESS FOR THE PREPARATION OF SULFONAMIDE DERIVATIVES PFIZER LIMITED (GB) 2007-01-25 WO disclosed
EP-1730103-A1 FORMAMIDE DERIVATIVES USEFUL AS ADRENOCEPTOR Pfizer Limited (GB) 2006-12-13 EP disclosed
EP-1727789-A2 PHENYLETHANOLAMINE DERIVATIVES AS BETA-2 AGONISTS Pfizer Limited (GB) 2006-12-06 EP disclosed
US-20050234097-A1 Compounds useful for the treatment of diseases PFIZER INC 2005-10-20 US disclosed
US-20050222128-A1 Compounds for the treatment of diseases PFIZER INC 2005-10-06 US disclosed
WO-2005092840-A1 FORMAMIDE DERIVATIVES USEFUL AS ADRENOCEPTOR PFIZER LIMITED (GB) 2005-10-06 WO disclosed
WO-2005092841-A1 COMPOUNDS HAVING BETA-AGONIST ACTIVITY PFIZER LIMITED (GB) 2005-10-06 WO disclosed
US-20050215590-A1 Formamide derivatives for the treatment of diseases PFIZER LIMITED (GB) 2005-09-29 US disclosed
WO-2005090287-A2 PHENYLETHANOLAMINE DERIVATIVES AS BETA-2 AGONISTS PFIZER LIMITED (GB) 2005-09-29 WO disclosed
EP-1574501-A1 Quinolinone derivatives, pharmaceutical compositions containing them and their use Pfizer Limited (GB) 2005-09-14 EP 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-20050234097-A1 Compounds useful for the treatment of diseases LTC4S, CYP11B2, CYP11B1 CYP1A2 40/4885CYP2C19 149/4885SLC6A2 3440/4885
US-20080207689-A1 Formamide Derivatives For The Treatment of Diseases FH, FAH, HRH4 CYP1A2 25/4885CYP2C19 163/4885SLC6A2 3342/4885
US-20050222128-A1 Compounds for the treatment of diseases LTC4S, LTB4R2, CYP11B2 CYP1A2 71/4885CYP2C19 216/4885SLC6A2 3176/4885
US-20050215590-A1 Formamide derivatives for the treatment of diseases FH, FAH, HRH4 CYP1A2 25/4885CYP2C19 163/4885SLC6A2 3342/4885

“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.