SCHEMBL3629152

SCHEMBL3629152

C[C@H](Cc1cccc(CCC(=O)O)c1)N[C@H](C)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.66
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KEAP1 Q14145 1/20 0.46
FFAR1 O14842 3/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 2/20 0.44
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
KDM4E B2RXH2 1/20 0.43
PTPRB P23467 1/20 0.43
CDC25A P30304 1/20 0.43
CDC25B P30305 1/20 0.43
PTEN P60484 1/20 0.43
PTPMT1 Q8WUK0 1/20 0.43
MEN1 O00255 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
SCHEMBL3629151 1.00 SIGMAR1 (0.66) SIGMAR1NPC1RAB9AKEAP1FFAR1
Hydrochloric Acid SCHEMBL3627136 0.99 SIGMAR1 (0.64) SIGMAR1NPC1RAB9AKEAP1FFAR1
Hydrochloric Acid SCHEMBL6046375 0.99 SIGMAR1 (0.64) SIGMAR1NPC1RAB9AKEAP1FFAR1
SCHEMBL13754670 0.89 SIGMAR1 (0.57) SIGMAR1NPC1RAB9ALMNAKMT2A
SCHEMBL3628122 0.86 SIGMAR1 (0.65) SIGMAR1NPC1RAB9ALMNATP53
Hydrochloric Acid SCHEMBL3625561 0.85 SIGMAR1 (0.63) SIGMAR1NPC1RAB9ALMNATP53
Hydrochloric Acid SCHEMBL732028 0.85 SIGMAR1 (0.63) SIGMAR1NPC1RAB9ALMNATP53
Hydrochloric Acid SCHEMBL732027 0.85 SIGMAR1 (0.63) SIGMAR1NPC1RAB9ALMNATP53
SCHEMBL731229 0.83 SIGMAR1 (0.69) SIGMAR1
Hydrochloric Acid SCHEMBL3915133 0.83 SIGMAR1 (0.63) SIGMAR1NPC1RAB9AFFAR1LMNA

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 13 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-7547731-B2 Formamide derivatives for the treatment of diseases PFIZER INC (US) 2009-06-16 US disclosed
US-7547731-B2 Formamide derivatives for the treatment of diseases PFIZER INC (US) 2009-06-16 US disclosed
US-7547731-B2 Formamide derivatives for the treatment of diseases PFIZER INC (US) 2009-06-16 US disclosed
US-20080207689-A1 Formamide Derivatives For The Treatment of Diseases PFIZER INC 2008-08-28 US disclosed
US-20080207689-A1 Formamide Derivatives For The Treatment of Diseases PFIZER INC 2008-08-28 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
US-7241810-B2 Formamide derivatives for the treatment of diseases PFIZER INC (US) 2007-07-10 US disclosed
US-7241810-B2 Formamide derivatives for the treatment of diseases PFIZER INC (US) 2007-07-10 US disclosed
EP-1730103-A1 FORMAMIDE DERIVATIVES USEFUL AS ADRENOCEPTOR Pfizer Limited (GB) 2006-12-13 EP disclosed
WO-2005092840-A1 FORMAMIDE DERIVATIVES USEFUL AS ADRENOCEPTOR 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

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-20080207689-A1 Formamide Derivatives For The Treatment of Diseases FH, FAH, HRH4 SIGMAR1 4073/4885NPC1 1091/4885RAB9A 1569/4885
US-20050215590-A1 Formamide derivatives for the treatment of diseases FH, FAH, HRH4 SIGMAR1 4073/4885NPC1 1091/4885RAB9A 1569/4885

“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.