SCHEMBL598681

SCHEMBL598681

CC1CCN(CCNC(=O)C(=O)c2cn(C(C)C)c3ccccc23)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHMT2 P34897 1/20 0.48
HTR7 P34969 3/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
HTR4 Q13639 4/20 0.43
RAB9A P51151 1/20 0.42
CHRM2 P08172 2/20 0.41
ADRA2A P08913 2/20 0.41
CHRM1 P11229 2/20 0.41
ADRA2B P18089 2/20 0.41
CHRM3 P20309 2/20 0.41
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
ALOX15 P16050 2/20 0.41

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
SCHEMBL598254 0.94 KDM4E (0.52) SHMT2HTR7ALDH1A1KDM4EHPGD
SCHEMBL598695 0.92 ALDH1A1 (0.43) SHMT2ALDH1A1SMN1; SMN2HTR4RAB9A
SCHEMBL598276 0.90 CNR1 (0.43) ALDH1A1SMN1; SMN2HTR4RAB9ACHRM2
SCHEMBL599187 0.90 CREBBP (0.42) SHMT2ALDH1A1SMN1; SMN2HTR4RAB9A
SCHEMBL599063 0.89 ALDH1A1 (0.49) SHMT2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL599365 0.89 ALDH1A1 (0.41) SHMT2ALDH1A1SMN1; SMN2HTR4RAB9A
Hydrochloric Acid SCHEMBL597406 0.89 HTR4 (0.43) ALDH1A1SMN1; SMN2HTR4RAB9ACHRM2
SCHEMBL598268 0.89 ALDH1A1 (0.48) SHMT2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL597912 0.88 HTR4 (0.43) ALDH1A1SMN1; SMN2HTR4RAB9ACHRM2
SCHEMBL597914 0.88 TPSAB1 (0.42) SHMT2ALDH1A1SMN1; SMN2HTR4RAB9A

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 SHMT2 452/4885HTR7 10/4885ALDH1A1 1162/4885
US-20100197723-A1 BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME HTR2C, HTR3A, HTR3C SHMT2 452/4885HTR7 10/4885ALDH1A1 1162/4885

“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.