SCHEMBL18065628

SCHEMBL18065628

CC1(O)CCCCNCC1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
CXCR4 P61073 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL2674357 0.92
SCHEMBL19045198 0.92
SCHEMBL19045193 0.92
Hydrochloric Acid SCHEMBL321214 0.90 CXCR4 (0.32) ALDH1A1CXCR4SMN1; SMN2KDM4EKMT2A
SCHEMBL18084750 0.87 CXCR4 (0.37) ALDH1A1CXCR4SMN1; SMN2
SCHEMBL86857 0.87
Hydrochloric Acid SCHEMBL76948 0.84
SCHEMBL25040382 0.80
SCHEMBL14066206 0.80
SCHEMBL16925430 0.78 ALDH1A1 (0.36) ALDH1A1

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 12 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-20180201590-A1 AZOCANE AND AZONANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2018-07-19 US disclosed
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
US-9884831-B2 Azocane and azonane derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2018-02-06 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
EP-3271019-A1 AZOCANE AND AZONANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS Novira Therapeutics Inc. (US) 2018-01-24 EP disclosed
WO-2016149581-A1 AZOCANE AND AZONANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. (US) 2016-09-22 WO 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
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 ALDH1A1 2044/4885CXCR4 639/4885SMN1; SMN2 4825/4885
US-20180201590-A1 AZOCANE AND AZONANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, HCCS, SLC10A1 ALDH1A1 2044/4885CXCR4 639/4885SMN1; SMN2 4825/4885

“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.