SCHEMBL12650308

SCHEMBL12650308

CCCCCCCC(CC)NN

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.42
SPHK1 Q9NYA1 2/20 0.40
LMNA P02545 2/20 0.39
DNM1 Q05193 4/20 0.39
EPHX1 P07099 1/20 0.39
TSHR P16473 1/20 0.38
THRB P10828 1/20 0.38
CYP2D6 P10635 2/20 0.38
ADH1B P00325 1/20 0.38
ADH1C P00326 1/20 0.38
ADH1A P07327 1/20 0.38
ADH4 P08319 1/20 0.38
ADH7 P40394 1/20 0.38
PLA2G1B P04054 1/20 0.38
PLA2G2A P14555 1/20 0.38
GMNN O75496 1/20 0.38
POLB P06746 1/20 0.38
THPO P40225 1/20 0.38
MTOR P42345 1/20 0.38
BLM P54132 1/20 0.38

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
SCHEMBL7347301 1.00 OPRM1 (0.42) OPRM1SPHK1LMNADNM1EPHX1
SCHEMBL10993235 1.00 OPRM1 (0.42) OPRM1SPHK1LMNADNM1EPHX1
Hydrochloric Acid SCHEMBL28958538 0.98 OPRM1 (0.41) OPRM1SPHK1LMNADNM1EPHX1
SCHEMBL18733079 0.98 OPRM1 (0.44) OPRM1SPHK1LMNADNM1EPHX1
SCHEMBL25338916 0.90 OPRM1 (0.46) OPRM1SPHK1LMNADNM1EPHX1
SCHEMBL22930967 0.90
SCHEMBL27331212 0.90
SCHEMBL25979188 0.90 OPRM1 (0.46) OPRM1SPHK1LMNADNM1EPHX1
SCHEMBL7344683 0.86 OPRM1 (0.42) OPRM1SPHK1LMNADNM1EPHX1
SCHEMBL12124043 0.86 OPRM1 (0.42) OPRM1SPHK1LMNADNM1EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170291890-A1 HETEROCYCLE SUBSTITUTED AMINO-PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF Epizyme, Inc. 2017-10-12 US disclosed
EP-3194377-A1 HETEROCYCLE SUBSTITUTED AMINO-PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2017-07-26 EP disclosed
WO-2016044666-A1 HETEROCYCLE SUBSTITUTED AMINO-PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2016-03-24 WO disclosed
US-20110118282-A1 Soluble Guanylate Cyclase Activators MERCK SHARP & DOHME LLC 2011-05-19 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-20170291890-A1 HETEROCYCLE SUBSTITUTED AMINO-PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF HCCS, TP53, NME2 OPRM1 2331/4885SPHK1 1809/4885LMNA 2766/4885
US-20110118282-A1 Soluble Guanylate Cyclase Activators GUCY1B1, GUCY1A2, GUCY1A1 OPRM1 4065/4885SPHK1 827/4885LMNA 532/4885

“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.