Sugi Predict

Sugi Predict / Compounds / SCHEMBL598293

SCHEMBL598293

SCHEMBL598293

CC(C)n1cc(C(=O)C(=O)NC2CCN(CCNC(=O)O)CC2)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.51
▸ HTR4 Q13639 7/20 0.47
▸ CARM1 Q86X55 1/20 0.43
▸ PRMT6 Q96LA8 1/20 0.43
▸ CHRM2 P08172 2/20 0.43
▸ ADRA2A P08913 2/20 0.43
▸ CHRM1 P11229 2/20 0.43
▸ ADRA2B P18089 2/20 0.43
▸ CHRM3 P20309 2/20 0.43
▸ HTR2A P28223 2/20 0.43
▸ HTR2C P28335 2/20 0.43
▸ CYP2D6 P10635 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CHRM4 P08173 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ HTR1D P28221 1/20 0.43
▸ ADRA1A P35348 1/20 0.43
▸ ADRA1B P35368 1/20 0.43
▸ ALDH1A1 P00352 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
SCHEMBL598870 0.88 RAB9A (0.54) RAB9AHTR4CHRM2ADRA2ACHRM1
SCHEMBL1687906 0.88 RAB9A (0.46) RAB9AHTR4CHRM2ADRA2ACHRM1
SCHEMBL598679 0.87 RAB9A (0.53) RAB9AHTR4CHRM2ADRA2ACHRM1
SCHEMBL1629678 0.87 RAB9A (0.53) RAB9AHTR4CHRM2ADRA2ACHRM1
SCHEMBL598453 0.87 HTR4 (0.55) RAB9AHTR4CARM1PRMT6CHRM2
SCHEMBL597410 0.87 RAB9A (0.53) RAB9AHTR4CHRM2ADRA2ACHRM1
SCHEMBL597784 0.87 HTR4 (0.53) RAB9AHTR4CHRM2ADRA2ACHRM1
Hydrochloric Acid SCHEMBL598346 0.87 RAB9A (0.53) RAB9AHTR4CHRM2ADRA2ACHRM1
SCHEMBL599152 0.87 RAB9A (0.53) RAB9AHTR4CHRM2ADRA2ACHRM1
SCHEMBL599038 0.86 RAB9A (0.54) RAB9AHTR4CHRM2ADRA2ACHRM1

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 6 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 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 RAB9A 3526/4885HTR4 7/4885CARM1 1972/4885
US-20100197723-A1 BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME HTR2C, HTR3A, HTR3C RAB9A 3526/4885HTR4 7/4885CARM1 1972/4885

“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.