SCHEMBL4881259

SCHEMBL4881259

CC(C)N(C(C)C)P(OCCC#N)OCc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.36
TSHR P16473 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CTSS P25774 9/20 0.33
CTSL P07711 8/20 0.33
CTSB P07858 6/20 0.33
CTSK P43235 5/20 0.33
GUSB P08236 1/20 0.32
LTA4H P09960 1/20 0.31

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
SCHEMBL14640698 0.89 MEN1 (0.39) MAOBGUSB
SCHEMBL12904940 0.89 MAOB (0.36) MAOBCTSLCTSBCTSKLTA4H
Acetonitrile SCHEMBL27856444 0.87 MAOB (0.37) MAOBTSHRCTSSCTSLCTSB
SCHEMBL13073522 0.86
SCHEMBL22762194 0.85
SCHEMBL80897 0.85 TSHR (0.41) TSHRLTA4H
SCHEMBL14601794 0.84 CTSS (0.39) CTSSCTSLCTSBCTSK
SCHEMBL22762021 0.83
SCHEMBL14559283 0.82 LMNA (0.40) CTSSCTSLCTSBCTSK
SCHEMBL27474 0.82 ALDH1A1 (0.34) MAOB

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-10131908-B2 5′ phosphate mimics ALNYLAM PHARMACEUTICALS, INC. (US) 2018-11-20 US disclosed
US-20150080457-A1 5' PHOSPHATE MIMICS BANK OF AMERICA, N.A. 2015-03-19 US disclosed
US-8927513-B2 5′ phosphate mimics ALNYLAM PHARMACEUTICALS, INC. (US) 2015-01-06 US disclosed
US-20120157511-A1 5' PHOSPHATE MIMICS ALNYLAM PHARMACEUTICALS, INC. (US) 2012-06-21 US disclosed
US-20080261923-A1 Alkene Mimics NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-10-23 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 (4 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-20120157511-A1 5' PHOSPHATE MIMICS NSUN2, RNGTT, RNMT MAOB 2917/4885TSHR 3336/4885CYP3A4 4327/4885
US-20150080457-A1 5' PHOSPHATE MIMICS NSUN2, RNGTT, RNMT MAOB 2996/4885TSHR 3344/4885CYP3A4 4379/4885
US-10131908-B2 5′ phosphate mimics NSUN2, RNGTT, RNMT MAOB 3116/4885TSHR 3339/4885CYP3A4 4507/4885
US-20080261923-A1 Alkene Mimics PHOSPHO1, PARN, CHAMP1 MAOB 4172/4885TSHR 3267/4885CYP3A4 4566/4885

“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.