SCHEMBL599145

SCHEMBL599145

Cc1c(C(=O)C(=O)NCCN2CCCCC2)c2ccccc2n1C(C)C

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
GAA P10253 1/20 0.50
OPRK1 P41145 1/20 0.48
NPY5R Q15761 1/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
HTR4 Q13639 2/20 0.46
SHMT2 P34897 1/20 0.44
EZH2 Q15910 1/20 0.44
POLB P06746 1/20 0.44
PKM P14618 1/20 0.43

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
SCHEMBL599595 0.88 NPY5R (0.48) LMNAGAANPY5RMEN1KMT2A
SCHEMBL598268 0.78 ALDH1A1 (0.48) LMNAGAAMEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL599366 0.77 ALDH1A1 (0.47) LMNAGAAMEN1KMT2AKDM4E
SCHEMBL599154 0.77 HTR4 (0.57) HTR4
SCHEMBL599063 0.77 ALDH1A1 (0.49) LMNAGAAMEN1KMT2AKDM4E
SCHEMBL599153 0.75 RAB9A (0.59) LMNAGAAMEN1KMT2AKDM4E
SCHEMBL598915 0.74 SHMT2 (0.56) GAAMEN1KMT2AKDM4EALDH1A1
SCHEMBL598399 0.74 ALDH1A1 (0.46) LMNAGAAMEN1KMT2AKDM4E
SCHEMBL598400 0.74 ALDH1A1 (0.46) LMNAGAAMEN1KMT2AKDM4E
SCHEMBL599035 0.74 ALDH1A1 (0.46) LMNAGAAMEN1KMT2AKDM4E

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 LMNA 3812/4885GAA 4267/4885OPRK1 30/4885
US-20100197723-A1 BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME HTR2C, HTR3A, HTR3C LMNA 3812/4885GAA 4267/4885OPRK1 30/4885

“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.