SCHEMBL7112061

SCHEMBL7112061

Cc1ccc(NC(=O)N2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1.[Gd]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.64
NPC1 O15118 1/20 0.61
RAB9A P51151 1/20 0.61
ALDH1A1 P00352 3/20 0.60
GAA P10253 1/20 0.55
MAPT P10636 4/20 0.55
ABL1 P00519 1/20 0.55
POLB P06746 1/20 0.55
RIN1 Q13671 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
KDM4E B2RXH2 1/20 0.54
HTT P42858 1/20 0.54
TSHR P16473 1/20 0.53
TP53 P04637 1/20 0.52
NAMPT P43490 1/20 0.51
TAS1R3 Q7RTX0 1/20 0.51
TAS1R1 Q7RTX1 1/20 0.51
TAS1R2 Q8TE23 1/20 0.51
CA12 O43570 1/20 0.51
CA2 P00918 1/20 0.51

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
SCHEMBL7108369 0.99 FAAH (0.65) FAAHNPC1RAB9AALDH1A1GAA
SCHEMBL7112070 0.86 NPC1 (0.61) FAAHNPC1RAB9AALDH1A1GAA
SCHEMBL18843662 0.85 ALDH1A1 (0.68) NPC1RAB9AALDH1A1MAPTPOLB
SCHEMBL18843660 0.85 ALDH1A1 (0.68) NPC1RAB9AALDH1A1MAPTPOLB
SCHEMBL27652942 0.84 NPC1 (0.83) FAAHNPC1RAB9AALDH1A1GAA
SCHEMBL7111490 0.83 NPC1 (0.58) FAAHNPC1RAB9AALDH1A1GAA
SCHEMBL29342044 0.81 ALDH1A1 (0.63) NPC1RAB9AALDH1A1GAATSHR
SCHEMBL178450 0.79 NPC1 (0.73) FAAHNPC1RAB9AALDH1A1GAA
SCHEMBL6037506 0.78 RAB9A (0.96) NPC1RAB9AALDH1A1HTTTSHR
SCHEMBL3606136 0.78 FAAH (1.00) FAAHMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030170173-A1 Contrast agents GE HEALTHCARE AS (NO) 2003-09-11 US disclosed
EP-1283728-A2 CONTRAST AGENTS Amersham Health AS (NO) 2003-02-19 EP disclosed
WO-2001089584-A2 CONTRAST AGENTS AMERSHAM HEALTH AS (NO) 2001-11-29 WO 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 (1 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-20030170173-A1 Contrast agents GBA1, RNASE1, MAN2B1 FAAH 666/4885NPC1 345/4885RAB9A 1184/4885

“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.