SCHEMBL3625638

SCHEMBL3625638

C[C@H](Cc1cccc(CC(=O)NC23CC4CC(CC(C4)C2)C3)c1)N[C@H](C)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.58
EPHX2 P34913 9/20 0.56
SIGMAR1 Q99720 1/20 0.48
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
ALDH1A1 P00352 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MAPK1 P28482 1/20 0.47
EPHX1 P07099 1/20 0.43
CNR2 P34972 2/20 0.43
CNR1 P21554 1/20 0.43

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
SCHEMBL3921989 1.00 ADRB2 (0.58) ADRB2EPHX2SIGMAR1KMT2AMEN1
SCHEMBL13596178 0.84 ADRB2 (0.59) ADRB2EPHX2KMT2AMEN1ALDH1A1
SCHEMBL3627679 0.82 ADRB2 (0.58) ADRB2EPHX2KMT2AMEN1ALDH1A1
SCHEMBL3916568 0.82 ADRB2 (0.58) ADRB2EPHX2KMT2AMEN1ALDH1A1
SCHEMBL13072323 0.82 ADRB2 (0.57) ADRB2EPHX2KMT2AMEN1ALDH1A1
SCHEMBL3628122 0.79 SIGMAR1 (0.65) ADRB2SIGMAR1ALDH1A1NPC1RAB9A
SCHEMBL13840705 0.78 ADRB2 (0.75) ADRB2MAPK1
SCHEMBL3914874 0.78 ADRB2 (0.75) ADRB2MAPK1
Hydrochloric Acid SCHEMBL732028 0.78 SIGMAR1 (0.63) ADRB2SIGMAR1NPC1RAB9A
Hydrochloric Acid SCHEMBL3625561 0.78 SIGMAR1 (0.63) ADRB2SIGMAR1NPC1RAB9A

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-7629358-B2 Compounds useful for the treatment of diseases PFIZER INC (US) 2009-12-08 US 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-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-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-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
US-20050234097-A1 Compounds useful for the treatment of diseases PFIZER INC 2005-10-20 US 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 (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-20050234097-A1 Compounds useful for the treatment of diseases LTC4S, CYP11B2, CYP11B1 ADRB2 731/4885EPHX2 369/4885SIGMAR1 3437/4885
US-20080207689-A1 Formamide Derivatives For The Treatment of Diseases FH, FAH, HRH4 ADRB2 751/4885EPHX2 583/4885SIGMAR1 4073/4885
US-20050215590-A1 Formamide derivatives for the treatment of diseases FH, FAH, HRH4 ADRB2 751/4885EPHX2 583/4885SIGMAR1 4073/4885

“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.