SCHEMBL7111499

SCHEMBL7111499

CC(C)(C)C(=O)CN1CCNCCN(CC(=O)C(C)(C)C)CCN(CC(=O)C(C)(C)C)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.53
CHRM5 P08912 2/20 0.49
CHRM3 P20309 2/20 0.49
ALDH1A1 P00352 2/20 0.46
POLB P06746 1/20 0.46
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
PKM P14618 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP2C19 P33261 1/20 0.39
KCNH2 Q12809 1/20 0.37
CACNA1I Q9P0X4 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
HPGD P15428 1/20 0.33
GNAI3 P08754 1/20 0.33

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
SCHEMBL2013094 0.98 SIGMAR1 (0.54) SIGMAR1CHRM5CHRM3ALDH1A1POLB
SCHEMBL12138555 0.96 SIGMAR1 (0.53) SIGMAR1CHRM5CHRM3ALDH1A1POLB
Hydrochloric Acid SCHEMBL2009643 0.96 SIGMAR1 (0.53) SIGMAR1CHRM5CHRM3ALDH1A1POLB
SCHEMBL25162175 0.93 SIGMAR1 (0.47) SIGMAR1CHRM5CHRM3ALDH1A1POLB
SCHEMBL4086161 0.87 ALDH1A1 (0.54) SIGMAR1ALDH1A1POLBCYP3A4CYP2D6
SCHEMBL14328665 0.79 ALDH1A1 (0.49) ALDH1A1POLBCYP3A4CYP2D6PKM
SCHEMBL17921358 0.79 ALDH1A1 (0.49) SIGMAR1ALDH1A1POLBCYP3A4CYP2D6
SCHEMBL22354451 0.79 ALDH1A1 (0.49) ALDH1A1POLBCYP3A4CYP2D6PKM
SCHEMBL6840504 0.79 ALDH1A1 (0.49) SIGMAR1ALDH1A1POLBCYP3A4CYP2D6
SCHEMBL10261319 0.79 ALDH1A1 (0.49) SIGMAR1ALDH1A1POLBCYP3A4CYP2D6

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 SIGMAR1 2811/4885CHRM5 1962/4885CHRM3 2055/4885

“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.