SCHEMBL13600073

SCHEMBL13600073

CC(c1ccncc1)N1CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.53
CHRM1 P11229 1/20 0.53
SLC6A4 P31645 4/20 0.49
ADRB2 P07550 1/20 0.48
NCF1 P14598 1/20 0.48
PLD1 Q13393 1/20 0.48
CYP2D6 P10635 3/20 0.47
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MC4R P32245 1/20 0.42
CYP19A1 P11511 1/20 0.41
RORC P51449 1/20 0.40
KCNA5 P22460 1/20 0.38
KCNH2 Q12809 1/20 0.38
HSD11B1 P28845 1/20 0.38
CYP3A4 P08684 1/20 0.37
SLC6A2 P23975 2/20 0.37
AURKA O14965 1/20 0.36
SLC6A3 Q01959 1/20 0.36
OPRM1 P35372 1/20 0.36

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
SCHEMBL10839487 0.81 CYP2D6 (0.50) CHRM2CHRM1CYP2D6MC4RCYP19A1
SCHEMBL20883792 0.81 CHRM2 (0.59) CHRM2CHRM1SLC6A4CYP2D6MEN1
SCHEMBL3956861 0.81 CYP2D6 (0.73) CHRM2CHRM1SLC6A4CYP2D6MEN1
SCHEMBL3950480 0.81 CYP2D6 (0.73) CHRM2CHRM1SLC6A4CYP2D6MEN1
SCHEMBL42790 0.81 CYP2D6 (0.73) CHRM2CHRM1SLC6A4CYP2D6MEN1
SCHEMBL16026426 0.80 KCNA5 (0.53) CHRM2CHRM1SLC6A4CYP2D6MEN1
SCHEMBL30233132 0.80 KCNA5 (0.53) CHRM2CHRM1SLC6A4CYP2D6MEN1
SCHEMBL15318609 0.79 CHRM2 (0.58) CHRM2CHRM1SLC6A4CYP2D6MEN1
Hydrochloric Acid SCHEMBL17272266 0.79 CYP2D6 (0.70) CHRM2CHRM1SLC6A4CYP2D6MEN1
Hydrochloric Acid SCHEMBL4811700 0.79 CYP2D6 (0.70) CHRM2CHRM1SLC6A4CYP2D6MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240124466-A1 COMPOUNDS AND USE THEREOF FOR TREATMENT OF NEURODEGENERATIVE, DEGENERATIVE AND METABOLIC DISORDERS THE SCRIPPS RESEARCH INSTITUTE 2024-04-18 US disclosed
CN-102796081-B Pyrimidine sulphonamide derivatives as chemokine receptor modulators ASTRAZENECA AB 2015-04-22 CN disclosed
US-7638531-B2 Phenoxypiperidines and analogs thereof useful as histamine H3 antagonists SCHERING CORPORATION (US) 2009-12-29 US disclosed
US-7638531-B2 Phenoxypiperidines and analogs thereof useful as histamine H3 antagonists SCHERING CORPORATION (US) 2009-12-29 US disclosed
US-20070167435-A1 Phenoxypiperidines and analogs thereof useful as histamine H3 antagonists SCHERING CORPORATION 2007-07-19 US disclosed
US-20070167435-A1 Phenoxypiperidines and analogs thereof useful as histamine H3 antagonists SCHERING CORPORATION 2007-07-19 US disclosed
WO-2007075629-A2 PHENOXYPIPERIDINES AND ANALOGS THEREOF USEFUL AS HISTAMINE H3 ANTAGONISTS SCHERING CORPORATION (US) 2007-07-05 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-20070167435-A1 Phenoxypiperidines and analogs thereof useful as histamine H3 antagonists HRH4, HRH3, HRH2 CHRM2 7/4885CHRM1 14/4885SLC6A4 1356/4885
US-20240124466-A1 COMPOUNDS AND USE THEREOF FOR TREATMENT OF NEURODEGENERATIVE, DEGENERATIVE AND METABOLIC DISORDERS SNCA, NLN, HTT CHRM2 277/4885CHRM1 609/4885SLC6A4 975/4885

“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.