SCHEMBL2183276

SCHEMBL2183276

O=C(N1CCOCC1)N1CCC(c2ccccc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.62
HRH3 Q9Y5N1 1/20 0.62
AKR1C3 P42330 4/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
TSHR P16473 2/20 0.58
ALDH1A1 P00352 2/20 0.54
KMT2A Q03164 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.51
LIPE Q05469 2/20 0.51
KIF11 P52732 1/20 0.49
RAB9A P51151 2/20 0.49
SCD5 Q86SK9 1/20 0.49
BACE1 P56817 1/20 0.49
NPC1 O15118 1/20 0.49
TP53 P04637 1/20 0.49

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
SCHEMBL27888979 0.90 KCNH2 (0.73) KCNH2HRH3ALDH1A1SMN1; SMN2LIPE
Hydrochloric Acid SCHEMBL27448507 0.83 HRH3 (0.66) KCNH2HRH3TSHRALDH1A1SMN1; SMN2
SCHEMBL2174082 0.81 ADAM10 (0.53) KCNH2HRH3TSHRBACE1
SCHEMBL27842786 0.80 RAB9A (0.67) KCNH2HRH3CYP2C9CYP2C19TSHR
SCHEMBL3666172 0.79 HSD11B1 (0.47) KCNH2HRH3AKR1C3CYP2C9CYP2C19
SCHEMBL1531725 0.79 KCNH2 (0.59) KCNH2HRH3ALDH1A1SMN1; SMN2RAB9A
SCHEMBL3436368 0.79 SMN1; SMN2 (0.60) AKR1C3CYP2C9CYP2C19TSHRALDH1A1
Hydrogen Sulfide SCHEMBL27863722 0.78 KCNH2 (0.58) KCNH2HRH3ALDH1A1SMN1; SMN2RAB9A
SCHEMBL26986829 0.77 KCNH2 (0.48) KCNH2HRH3CYP2C19TSHRALDH1A1
SCHEMBL24937739 0.76 KCNH2 (0.57) KCNH2HRH3ALDH1A1SMN1; SMN2LIPE

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-8680263-B2 Carbohydrate-based drug delivery polymers and conjugates thereof NEKTAR THERAPEUTICS (US) 2014-03-25 US disclosed
US-20110171716-A1 CARBOHYDRATE-BASED DRUG DELIVERY POLYMERS AND CONJUGATES THEREOF NEKTAR THERAPEUTICS (US) 2011-07-14 US disclosed
US-20110166063-A1 POLYMER CONJUGATES OF THERAPEUTIC PEPTIDES NEKTAR THERAPEUTICS (US) 2011-07-07 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-20110171716-A1 CARBOHYDRATE-BASED DRUG DELIVERY POLYMERS AND CONJUGATES THEREOF STT3B, STT3A, DDOST KCNH2 4789/4885HRH3 4217/4885AKR1C3 935/4885
US-20110166063-A1 POLYMER CONJUGATES OF THERAPEUTIC PEPTIDES NGLY1, CD44, IAPP KCNH2 4644/4885HRH3 2000/4885AKR1C3 1663/4885

“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.