SCHEMBL12801976

SCHEMBL12801976

BNCc1cccc(C2CCNCC2)c1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.54
SLC18A3 Q16572 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
QDPR P09417 1/20 0.44
HTR6 P50406 2/20 0.40
GBA1 P04062 1/20 0.39
HTR1A P08908 2/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37

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
SCHEMBL22652503 0.86 HTR2C (0.57) HTR2CSLC18A3SIGMAR1QDPRHTR6
SCHEMBL1668790 0.81 HTR2C (0.51) HTR2CSLC18A3SIGMAR1QDPR
SCHEMBL22567480 0.80 HTR2C (0.57) HTR2CSLC18A3SIGMAR1QDPRHTR6
SCHEMBL7624146 0.80 HTR2C (0.57) HTR2CSLC18A3SIGMAR1QDPRHTR6
SCHEMBL4404411 0.80 HTR2C (0.57) HTR2CSLC18A3SIGMAR1QDPRHTR6
SCHEMBL4518387 0.80 HTR2C (0.62) HTR2CSLC18A3SIGMAR1QDPRHTR6
SCHEMBL7496895 0.79 SLC18A3 (0.61) HTR2CSLC18A3SIGMAR1QDPRHTR6
Hydrochloric Acid SCHEMBL30946017 0.79 HTR2C (0.63) HTR2CSLC18A3SIGMAR1QDPRHTR6
SCHEMBL8844193 0.77 DRD2 (0.48) HTR2C
SCHEMBL14879996 0.77 HTR2C (0.50) HTR2CSLC18A3SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120295874-A1 COFERONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2012-11-22 US 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 (1 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-20120295874-A1 COFERONS AND METHODS OF MAKING AND USING THEM MYOF, FTH1, HCCS HTR2C 4174/4885SLC18A3 1331/4885SIGMAR1 566/4885

“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.