SCHEMBL596705

SCHEMBL596705

O=C(NCCN1CCCCC1)C(=O)c1cn(CCO)c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.54
CNR2 P34972 4/20 0.53
CNR1 P21554 2/20 0.53
ALDH1A1 P00352 7/20 0.52
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.49
KMT2A Q03164 3/20 0.49
MAPT P10636 3/20 0.49
MEN1 O00255 2/20 0.49
NPC1 O15118 1/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL599614 0.89 CREBBP (0.54) CNR2CNR1ALDH1A1HPGDSMN1; SMN2
SCHEMBL597474 0.89 ALDH1A1 (0.59) CNR2CNR1ALDH1A1HPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL598451 0.88 ALDH1A1 (0.58) CNR2CNR1ALDH1A1HPGDSMN1; SMN2
SCHEMBL599049 0.88 ALDH1A1 (0.60) ALDH1A1HPGDSMN1; SMN2KMT2AMAPT
SCHEMBL598915 0.86 SHMT2 (0.56) CNR2CNR1ALDH1A1HPGDSMN1; SMN2
SCHEMBL599153 0.85 RAB9A (0.59) ALDH1A1HPGDSMN1; SMN2KMT2AMAPT
SCHEMBL598819 0.83 ALDH1A1 (0.57) CNR2CNR1ALDH1A1HPGDSMN1; SMN2
SCHEMBL598268 0.81 ALDH1A1 (0.48) CNR2CNR1ALDH1A1HPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL599366 0.81 ALDH1A1 (0.47) CNR2CNR1ALDH1A1HPGDSMN1; SMN2
SCHEMBL599133 0.80 ALDH1A1 (0.54) CNR2CNR1ALDH1A1HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2445877-B1 BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME NANOTHERAPEUTICS INC (US) 2014-07-23 EP claimed
EP-2445877-A2 BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME Nanotherapeutics, Inc. (US) 2012-05-02 EP claimed
US-8114894-B2 Bicyclic compounds and methods of making and using same NANOTHERAPEUTICS, INC. (US) 2012-02-14 US claimed
US-20100197723-A1 BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME NANOSHIFT, LLC 2010-08-05 US claimed
WO-2010065743-A2 BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME NANOTHERAPEUTICS, INC. (US) 2010-06-10 WO claimed
EP-2445877-B1 BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME NANOTHERAPEUTICS INC (US) 2014-07-23 EP disclosed
EP-2445877-A2 BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME Nanotherapeutics, Inc. (US) 2012-05-02 EP disclosed
US-20120088793-A1 Bicyclic Compounds and Methods of Making and Using Same NANOTHERAPEUTICS, INC. 2012-04-12 US disclosed
US-8114894-B2 Bicyclic compounds and methods of making and using same NANOTHERAPEUTICS, INC. (US) 2012-02-14 US disclosed
US-20100197723-A1 BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME NANOSHIFT, LLC 2010-08-05 US disclosed
WO-2010065743-A2 BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME NANOTHERAPEUTICS, INC. (US) 2010-06-10 WO 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-20120088793-A1 Bicyclic Compounds and Methods of Making and Using Same HTR2C, HTR3A, HTR3C P2RX7 242/4885CNR2 23/4885CNR1 26/4885
US-20100197723-A1 BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME HTR2C, HTR3A, HTR3C P2RX7 242/4885CNR2 23/4885CNR1 26/4885

“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.