SCHEMBL2001123

SCHEMBL2001123

N#CC1CCC2(CC1)OC(=O)c1cc(OCCF)ccc12

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.40
MAOA P21397 10/20 0.37
MAOB P27338 10/20 0.37
NPY5R Q15761 6/20 0.37
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35
AVPR1A P37288 1/20 0.35
LTA4H P09960 1/20 0.33

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
SCHEMBL2003177 1.00 HRH3 (0.40) HRH3MAOAMAOBNPY5RCA12
SCHEMBL1995594 0.83 HRH3 (0.48) HRH3NPY5R
SCHEMBL1995592 0.83 HRH3 (0.48) HRH3NPY5R
SCHEMBL1993746 0.82 CA12 (0.39) HRH3MAOAMAOBNPY5RCA12
SCHEMBL4369332 0.71 AKR1A1 (0.41) HRH3MAOAMAOBCA12CA1
Hydrochloric Acid SCHEMBL3942838 0.69 HRH3 (0.55) HRH3NPY5R
SCHEMBL6823336 0.69 NPY5R (0.51) NPY5R
SCHEMBL6823333 0.69 NPY5R (0.51) NPY5R
SCHEMBL12568900 0.68 HRH3 (0.55) HRH3NPY5RAVPR1A
SCHEMBL25317632 0.67 MAOA (0.40) HRH3MAOAMAOBAVPR1A

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 4 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
EP-1795527-B1 CARBAMOYL-SUBSTITUTED SPIRO DERIVATIVE BANYU PHARMA CO LTD (JP) 2009-04-22 EP disclosed
US-20080171753-A1 Carbamoyl-Substituted Spiro Derivative MSD K.K. (JP) 2008-07-17 US disclosed
EP-1795527-A1 CARBAMOYL-SUBSTITUTED SPIRO DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-06-13 EP 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 HRH3 1/4885MAOA 1395/4885MAOB 1043/4885

“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.