SCHEMBL12568614

SCHEMBL12568614

CN[C@H]1CCCN(C2CCCCC2)C1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.40
CHRM5 P08912 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM3 P20309 1/20 0.40
POLB P06746 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
DPP4 P27487 1/20 0.36
HRH4 Q9H3N8 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PARP1 P09874 1/20 0.34

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
SCHEMBL9927934 1.00 SIGMAR1 (0.40) SIGMAR1CHRM5CHRM1CHRM2CHRM4
SCHEMBL9927923 0.98 SIGMAR1 (0.37) SIGMAR1CHRM5CHRM1CHRM2CHRM4
SCHEMBL12568618 0.98 SIGMAR1 (0.37) SIGMAR1CHRM5CHRM1CHRM2CHRM4
SCHEMBL9699059 0.90 DPP4 (0.40) SIGMAR1POLBHSD17B10MEN1KMT2A
Hydrochloric Acid SCHEMBL28866191 0.90 ALDH1A1 (0.40) CHRM5CHRM1CHRM2ALDH1A1
SCHEMBL13874789 0.90 DPP4 (0.40) SIGMAR1POLBHSD17B10MEN1KMT2A
SCHEMBL12568620 0.90 DPP4 (0.40) SIGMAR1POLBHSD17B10MEN1KMT2A
SCHEMBL725303 0.88 DPP4 (0.38) SIGMAR1DPP4HRH4
SCHEMBL724375 0.88 DPP4 (0.38) SIGMAR1DPP4HRH4
SCHEMBL1999934 0.88 DPP4 (0.38) SIGMAR1DPP4HRH4

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-7960402-B2 Trans-5'-(2-fluoroethoxy)-3'-oxo-N-methyl-N-(2-piperidin-1-ylethyl)-spiro[cyclohexane-1,1'-(3'H)-isobenzofuran]-4-carboxamide hydrochloride; histamine H3 receptor antagonist or inverse agonist; metabolic disorders; circulatory diseases; nervous system diseases; psychological disorders; sleep disorders BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-06-14 US disclosed
US-20080171753-A1 Carbamoyl-Substituted Spiro Derivative MSD K.K. (JP) 2008-07-17 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-20080171753-A1 Carbamoyl-Substituted Spiro Derivative HRH3, HRH4, HRH2 SIGMAR1 121/4885CHRM5 36/4885CHRM1 13/4885

“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.