SCHEMBL599049

SCHEMBL599049

O=C(O)Cn1cc(C(=O)C(=O)NCCN2CCCCC2)c2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.60
▸ MAPT P10636 4/20 0.60
▸ KDM4E B2RXH2 2/20 0.60
▸ GFER P55789 1/20 0.60
▸ HPGD P15428 2/20 0.57
▸ KMT2A Q03164 6/20 0.53
▸ SMN1; SMN2 Q16637 4/20 0.53
▸ MEN1 O00255 4/20 0.53
▸ NPC1 O15118 1/20 0.51
▸ RXFP1 Q9HBX9 1/20 0.49

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 0.90 CREBBP (0.54) ALDH1A1MAPTKDM4EGFERHPGD
SCHEMBL597474 0.88 ALDH1A1 (0.59) ALDH1A1MAPTKDM4EHPGDKMT2A
SCHEMBL596705 0.88 P2RX7 (0.54) ALDH1A1MAPTKDM4EHPGDKMT2A
Hydrochloric Acid SCHEMBL598451 0.87 ALDH1A1 (0.58) ALDH1A1MAPTKDM4EHPGDKMT2A
SCHEMBL598915 0.85 SHMT2 (0.56) ALDH1A1MAPTKDM4EHPGDKMT2A
SCHEMBL599153 0.84 RAB9A (0.59) ALDH1A1MAPTKDM4EHPGDKMT2A
SCHEMBL598819 0.82 ALDH1A1 (0.57) ALDH1A1MAPTKDM4EHPGDKMT2A
SCHEMBL598268 0.80 ALDH1A1 (0.48) ALDH1A1MAPTKDM4EHPGDKMT2A
SCHEMBL599213 0.80 ALDH1A1 (0.48) ALDH1A1MAPTKDM4EHPGDKMT2A
Hydrochloric Acid SCHEMBL599366 0.80 ALDH1A1 (0.47) ALDH1A1MAPTKDM4EHPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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 1162/4885MAPT 4260/4885KDM4E 2763/4885
US-20100197723-A1 BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME HTR2C, HTR3A, HTR3C ALDH1A1 1162/4885MAPT 4260/4885KDM4E 2763/4885

“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.

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