SCHEMBL4900718

SCHEMBL4900718

NCCc1coc(C2CCCCC2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NUDT1 P36639 1/20 0.36
BACE1 P56817 1/20 0.36
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
CYP2C19 P33261 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
HTR1D P28221 2/20 0.32
HTR2A P28223 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TDO2 P48775 1/20 0.31
CTSK P43235 3/20 0.31
CTSS P25774 2/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL4903998 0.83 ALDH1A1 (0.34) NPC1RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL5725170 0.79 ALDH1A1 (0.36) NPC1RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL5573667 0.79 ALDH1A1 (0.36) NPC1RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL15856269 0.78 USP2 (0.38) POLBL3MBTL1
SCHEMBL13827814 0.78 CTSK (0.40) NPC1RAB9ACYP2C19CYP1A2CYP3A4
SCHEMBL411063 0.77 RET (0.32)
SCHEMBL5286858 0.74 HPGD (0.40) ALDH1A1SMN1; SMN2LMNAPOLBL3MBTL1
SCHEMBL17029332 0.74 NPC1 (0.31) NPC1RAB9AALDH1A1LMNAPOLB
SCHEMBL13827633 0.74 CTSK (0.36) NPC1RAB9ASMN1; SMN2CYP2C19CYP1A2
SCHEMBL13819886 0.70 CCNE1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101287718-A Substituted heteroaryl- and phenylsulfamoyl compounds PFIZER PROD INC (US) 2008-10-15 CN disclosed
US-20080090829-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PFIZER INC. 2008-04-17 US disclosed
US-20060229363-A1 Substituted Heteroaryl- and Phenylsulfamoyl Compounds HAMANAKA ERNEST S 2006-10-12 US disclosed
US-20050288340-A1 Substituted heteroaryl- and phenylsulfamoyl compounds PFIZER INC 2005-12-29 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-20060229363-A1 Substituted Heteroaryl- and Phenylsulfamoyl Compounds PPARA, PPARG, PPARD NPC1 50/4885RAB9A 2581/4885ALDH1A1 2664/4885
US-20050288340-A1 Substituted heteroaryl- and phenylsulfamoyl compounds PPARA, PPARG, PPARD NPC1 59/4885RAB9A 2271/4885ALDH1A1 2956/4885
US-20080090829-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PPARA, PPARG, PPARD NPC1 59/4885RAB9A 2271/4885ALDH1A1 2956/4885

“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.