SCHEMBL1996880

SCHEMBL1996880

COc1ccc2c(c1)C(=O)O[C@]21CC[C@H](C(=O)O)CC1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.62
AVPR1A P37288 3/20 0.48
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
NPY5R Q15761 6/20 0.42
PPIB P23284 1/20 0.40
ATM Q13315 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP19A1 P11511 1/20 0.39

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
SCHEMBL1996878 1.00 HRH3 (0.62) HRH3AVPR1AMAPTTSHRNPY5R
SCHEMBL12568919 0.90 HRH3 (0.62) HRH3AVPR1AMAPTTSHRNPY5R
SCHEMBL2003023 0.90 HRH3 (0.62) HRH3AVPR1AMAPTTSHRNPY5R
SCHEMBL2003021 0.90 HRH3 (0.62) HRH3AVPR1AMAPTTSHRNPY5R
SCHEMBL2001038 0.89 HRH3 (0.61) HRH3AVPR1AMAPTTSHRNPY5R
SCHEMBL2001039 0.89 HRH3 (0.61) HRH3AVPR1AMAPTTSHRNPY5R
SCHEMBL12568900 0.85 HRH3 (0.55) HRH3AVPR1AMAPTTSHRNPY5R
SCHEMBL1995592 0.83 HRH3 (0.48) HRH3NPY5R
SCHEMBL1995594 0.83 HRH3 (0.48) HRH3NPY5R
SCHEMBL1999980 0.82 HRH3 (0.75) HRH3AVPR1AMAPTTSHRNPY5R

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 9 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
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
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
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 1/4885AVPR1A 294/4885MAPT 3685/4885

“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.