SCHEMBL1998962

SCHEMBL1998962

O=C1O[C@]2(CC[C@H](C(=O)NN3CCN(C4CCCC4)CC3)CC2)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 13/20 0.51
HRH3 Q9Y5N1 1/20 0.49
OPRM1 P35372 2/20 0.43
OPRL1 P41146 2/20 0.43
KCNH2 Q12809 1/20 0.43
GRIN2B Q13224 1/20 0.43
AVPR1A P37288 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL1999237 0.99 HRH3 (0.51) NPY5RHRH3OPRM1OPRL1KCNH2
SCHEMBL12568762 0.84 HRH3 (0.52) NPY5RHRH3OPRM1OPRL1KCNH2
SCHEMBL1997912 0.83 NPY5R (0.51) NPY5RHRH3AVPR1A
Hydrochloric Acid SCHEMBL2005054 0.83 NPY5R (0.53) NPY5RHRH3AVPR1A
SCHEMBL12568763 0.83 HRH3 (0.53) NPY5RHRH3OPRM1OPRL1KCNH2
SCHEMBL12568764 0.82 HRH3 (0.52) NPY5RHRH3AVPR1A
SCHEMBL1999881 0.82 HRH3 (0.57) NPY5RHRH3AVPR1A
SCHEMBL1999136 0.81 HRH3 (0.49) NPY5RHRH3AVPR1A
SCHEMBL1996667 0.80 HRH3 (0.55) NPY5RHRH3
SCHEMBL1998081 0.80 HRH3 (0.48) NPY5RHRH3

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 8 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 claimed
EP-1795527-B1 CARBAMOYL-SUBSTITUTED SPIRO DERIVATIVE BANYU PHARMA CO LTD (JP) 2009-04-22 EP claimed
US-20080171753-A1 Carbamoyl-Substituted Spiro Derivative MSD K.K. (JP) 2008-07-17 US claimed
EP-1795527-A1 CARBAMOYL-SUBSTITUTED SPIRO DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-06-13 EP claimed
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 NPY5R 75/4885HRH3 1/4885OPRM1 206/4885

“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.