SCHEMBL18084792

SCHEMBL18084792

O=C(OCc1ccccc1)N1CCCCC(O)CC1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.67
NPC1 O15118 3/20 0.67
RAB9A P51151 3/20 0.67
CYP2C19 P33261 1/20 0.64
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
GRIN2B Q13224 9/20 0.54
HTT P42858 1/20 0.54
CYP2D6 P10635 4/20 0.53
CYP2C9 P11712 4/20 0.53
CYP3A4 P08684 3/20 0.50
ENPP2 Q13822 1/20 0.49
PDE4B Q07343 1/20 0.48

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
SCHEMBL18084811 0.96 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL504665 0.96 SMN1; SMN2 (0.68) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL13547248 0.96 SMN1; SMN2 (0.68) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL18084813 0.93 SMN1; SMN2 (0.68) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL77639 0.93 SMN1; SMN2 (0.76) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL16903351 0.89 SMN1; SMN2 (0.59) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL18084804 0.88 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL29152562 0.88 SMN1; SMN2 (0.68) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
Alcohol SCHEMBL27865721 0.88 SMN1; SMN2 (0.68) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL1000788 0.87 MEN1 (0.71) SMN1; SMN2NPC1RAB9ACYP2C19MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180201590-A1 AZOCANE AND AZONANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2018-07-19 US disclosed
US-9884831-B2 Azocane and azonane derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2018-02-06 US disclosed
WO-2016149581-A1 AZOCANE AND AZONANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. (US) 2016-09-22 WO disclosed
US-20160272599-A1 AZOCANE AND AZONANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2016-09-22 US disclosed
US-20160272599-A1 AZOCANE AND AZONANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2016-09-22 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-20160272599-A1 AZOCANE AND AZONANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, HCCS, SLC10A1 SMN1; SMN2 4825/4885NPC1 146/4885RAB9A 3197/4885
US-20180201590-A1 AZOCANE AND AZONANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, HCCS, SLC10A1 SMN1; SMN2 4825/4885NPC1 146/4885RAB9A 3197/4885

“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.