SCHEMBL1668790

SCHEMBL1668790

O=C(O)NCc1cccc(C2CCNCC2)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.51
JAK3 P52333 1/20 0.48
SLC18A3 Q16572 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
TRPA1 O75762 1/20 0.43
MC4R P32245 1/20 0.42
ALDH2 P05091 1/20 0.42
PLAT P00750 1/20 0.42
QDPR P09417 1/20 0.42

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
SCHEMBL25358726 0.90 CYP1A2 (0.51) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL25361005 0.87 HPGD (0.49) JAK3CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL14879996 0.84 HTR2C (0.50) HTR2CJAK3SLC18A3SIGMAR1TRPA1
SCHEMBL1668725 0.84 NAAA (0.49) JAK3SLC18A3SIGMAR1
SCHEMBL301842 0.81 BRD4 (0.47) HTR2C
SCHEMBL13646085 0.81 SLC18A3 (0.51) HTR2CSLC18A3SIGMAR1QDPR
Acetic Acid SCHEMBL973925 0.81 BRD4 (0.45) HTR2CJAK3
SCHEMBL12801976 0.81 HTR2C (0.54) HTR2CSLC18A3SIGMAR1QDPR
Hydrochloric Acid SCHEMBL2034724 0.80 BRD4 (0.46) HTR2C
Hydrochloric Acid SCHEMBL3865466 0.80 HTR2C (0.53) HTR2CSLC18A3SIGMAR1QDPR

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
US-11970448-B2 Monomers capable of dimerizing in an aqueous solution, and methods of using same CORNELL UNIVERSITY (US) 2024-04-30 US disclosed
US-20200354319-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME UNIV CORNELL (US) 2020-11-12 US disclosed
EP-2694707-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME Cornell University (US) 2014-02-12 EP disclosed
WO-2013058824-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME CORNELL UNIVERSITY (US) 2013-04-25 WO disclosed
EP-2485678-A1 COFERONS AND METHODS OF MAKING AND USING THEM Cornell University (US) 2012-08-15 EP disclosed
WO-2011043817-A1 COFERONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2011-04-14 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-11970448-B2 Monomers capable of dimerizing in an aqueous solution, and methods of using same CALCOCO2, MDN1, MBNL1 HTR2C 4716/4885JAK3 3439/4885SLC18A3 4334/4885
US-20200354319-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME CALCOCO2, MDN1, MBNL1 HTR2C 4716/4885JAK3 3439/4885SLC18A3 4334/4885

“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.