SCHEMBL18376167

SCHEMBL18376167

CN1CC[C@@H](N(C)CCO)C1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.40
MCHR1 Q99705 2/20 0.34
SLC6A2 P23975 2/20 0.34
KDM4E B2RXH2 2/20 0.33
CYP2D6 P10635 1/20 0.33
HRH1 P35367 1/20 0.33
KCNH2 Q12809 1/20 0.33
NCF1 P14598 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
POLB P06746 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PGR P06401 1/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
SMYD3 Q9H7B4 1/20 0.32

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
SCHEMBL5661288 1.00 SIGMAR1 (0.40) SIGMAR1MCHR1SLC6A2KDM4ECYP2D6
SCHEMBL5663844 0.89 SIGMAR1 (0.39) SIGMAR1MCHR1SLC6A2KDM4ENCF1
SCHEMBL13209122 0.88 KDM4E (0.41) KDM4ECYP2D6HRH1KCNH2NCF1
SCHEMBL23275893 0.84 MAPT (0.36) SIGMAR1
SCHEMBL13939978 0.82 SIGMAR1 (0.41) SIGMAR1MCHR1SLC6A2KDM4ENCF1
SCHEMBL5661285 0.81 SIGMAR1 (0.40) SIGMAR1MCHR1SLC6A2KDM4ENCF1
SCHEMBL17263306 0.79 SIGMAR1 (0.40) SIGMAR1MCHR1SLC6A2KDM4ENCF1
SCHEMBL23603446 0.79 SIGMAR1 (0.40) SIGMAR1MCHR1SLC6A2KDM4ENCF1
SCHEMBL19226484 0.79 PGR (0.43) SIGMAR1MCHR1SLC6A2PGR
SCHEMBL24027442 0.79 TSHR (0.44) SIGMAR1MCHR1KDM4ECYP2D6NCF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170008888-A1 HETEROCYCLIC COMPOUNDS ACTIVX BIOSCIENCES, INC. 2017-01-12 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 (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-20170008888-A1 HETEROCYCLIC COMPOUNDS BET1, EP300, RBBP5 SIGMAR1 4629/4885MCHR1 4734/4885SLC6A2 4800/4885

“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.