SCHEMBL598695

SCHEMBL598695

CC(C)n1cc(C(=O)C(=O)NCCN2CCC(F)CC2)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 1/20 0.43
HTR4 Q13639 6/20 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
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
ALOX15 P16050 2/20 0.41
CHRM4 P08173 1/20 0.41
CYP2D6 P10635 1/20 0.41
HTR1D P28221 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 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
SCHEMBL598179 0.94 CYP1A2 (0.42) ALDH1A1SMN1; SMN2LMNAHTR4RAB9A
SCHEMBL598681 0.92 SHMT2 (0.48) ALDH1A1SMN1; SMN2LMNAHTR4RAB9A
SCHEMBL597914 0.90 TPSAB1 (0.42) ALDH1A1SMN1; SMN2LMNAHTR4RAB9A
SCHEMBL598276 0.90 CNR1 (0.43) ALDH1A1SMN1; SMN2HTR4RAB9ACHRM2
SCHEMBL599187 0.90 CREBBP (0.42) ALDH1A1SMN1; SMN2LMNAHTR4RAB9A
SCHEMBL599063 0.89 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2LMNARAB9ASHMT2
Hydrochloric Acid SCHEMBL597406 0.89 HTR4 (0.43) ALDH1A1SMN1; SMN2HTR4RAB9ACHRM2
SCHEMBL599365 0.89 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2LMNAHTR4RAB9A
SCHEMBL598268 0.89 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2LMNARAB9ASHMT2
SCHEMBL597912 0.88 HTR4 (0.43) ALDH1A1SMN1; SMN2HTR4RAB9ACHRM2

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 ALDH1A1 1162/4885SMN1; SMN2 3806/4885LMNA 3812/4885
US-20100197723-A1 BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME HTR2C, HTR3A, HTR3C ALDH1A1 1162/4885SMN1; SMN2 3806/4885LMNA 3812/4885

“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.