SCHEMBL599631

SCHEMBL599631

COc1ccc2c(c1)c(C(=O)C(=O)NCCN1CCCCC1)cn2C(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.48
▸ ACHE P22303 1/20 0.48
▸ POLB P06746 1/20 0.47
▸ CYP2D6 P10635 1/20 0.45
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ MTNR1A P48039 4/20 0.43
▸ MTNR1B P49286 4/20 0.43
▸ HTR4 Q13639 1/20 0.43
▸ LMNA P02545 2/20 0.42
▸ NQO2 P16083 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ HTR6 P50406 1/20 0.41
▸ CACNA1G O43497 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
SCHEMBL599132 0.87 KMT2A (0.47) KDM4EACHEMEN1KMT2AALDH1A1
SCHEMBL598877 0.86 GAA (0.45) KDM4EMEN1KMT2AHTR4ALDH1A1
SCHEMBL598054 0.86 PKM (0.43) KDM4EMEN1KMT2AALDH1A1MAPT
Hydrochloric Acid SCHEMBL599362 0.85 ALDH1A1 (0.45) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL598268 0.84 ALDH1A1 (0.48) KDM4EPOLBMEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL599366 0.83 ALDH1A1 (0.47) KDM4EPOLBMEN1KMT2ALMNA
SCHEMBL599063 0.83 ALDH1A1 (0.49) KDM4EMEN1KMT2ALMNAALDH1A1
SCHEMBL598771 0.81 KMT2A (0.41) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL597813 0.80 ACHE (0.39) KDM4EACHEMEN1KMT2AHTR4
SCHEMBL598435 0.80 NTRK1 (0.42) —

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 19 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-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-20120088793-A1 Bicyclic Compounds and Methods of Making and Using Same NANOTHERAPEUTICS, INC. 2012-04-12 — — US 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-8114894-B2 Bicyclic compounds and methods of making and using same NANOTHERAPEUTICS, INC. (US) 2012-02-14 — — 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
US-20100197723-A1 BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME NANOSHIFT, LLC 2010-08-05 — — 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
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 KDM4E 2763/4885ACHE 300/4885POLB 3430/4885
US-20100197723-A1 BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME HTR2C, HTR3A, HTR3C KDM4E 2763/4885ACHE 300/4885POLB 3430/4885

“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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