SCHEMBL598613

SCHEMBL598613

CCN1CCN(CCNC(=O)C(=O)c2cn(C(C)C)c3ccccc23)CC1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ HTR4 Q13639 2/20 0.43
▸ KMT2A Q03164 1/20 0.42
▸ LMNA P02545 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.40

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
SCHEMBL599063 0.91 ALDH1A1 (0.49) HTTALDH1A1SMN1; SMN2KMT2ALMNA
SCHEMBL2726958 0.91 HTT (0.42) HTTALDH1A1SMN1; SMN2HTR4KMT2A
SCHEMBL598268 0.90 ALDH1A1 (0.48) HTTALDH1A1SMN1; SMN2KMT2ALMNA
Hydrochloric Acid SCHEMBL599366 0.89 ALDH1A1 (0.47) HTTALDH1A1SMN1; SMN2KMT2ALMNA
SCHEMBL598276 0.88 CNR1 (0.43) ALDH1A1SMN1; SMN2HTR4
SCHEMBL598695 0.88 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2HTR4LMNA
SCHEMBL598681 0.88 SHMT2 (0.48) ALDH1A1SMN1; SMN2HTR4LMNAKDM4E
Hydrochloric Acid SCHEMBL597406 0.87 HTR4 (0.43) ALDH1A1SMN1; SMN2HTR4
SCHEMBL597820 0.86 BCHE (0.46) ALDH1A1SMN1; SMN2HTR4
SCHEMBL599187 0.86 CREBBP (0.42) ALDH1A1SMN1; SMN2HTR4LMNA

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-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
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 HTT 1279/4885ALDH1A1 1162/4885SMN1; SMN2 3806/4885
US-20100197723-A1 BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME HTR2C, HTR3A, HTR3C HTT 1279/4885ALDH1A1 1162/4885SMN1; SMN2 3806/4885

“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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