SCHEMBL3943883

SCHEMBL3943883

CCN(CCN1CCCCC1)C(=O)[C@H]1CC[C@@]2(CC1)OC(=O)c1ccccc12

nearest known ligand 0.79

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.79
KMT2A Q03164 1/20 0.44
SIGMAR1 Q99720 1/20 0.43
NPY5R Q15761 2/20 0.42
AVPR1A P37288 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HTR2A P28223 1/20 0.39
HTR7 P34969 1/20 0.39
KCNH2 Q12809 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
Hydrochloric Acid SCHEMBL1997299 0.99 HRH3 (0.77) HRH3KMT2ASIGMAR1NPY5RAVPR1A
SCHEMBL3942346 0.88 HRH3 (1.00) HRH3SIGMAR1NPY5R
Hydrochloric Acid SCHEMBL1999007 0.87 HRH3 (0.98) HRH3SIGMAR1NPY5R
SCHEMBL12568703 0.87 HRH3 (0.98) HRH3SIGMAR1NPY5R
Hydrochloric Acid SCHEMBL1998177 0.86 HRH3 (0.96) HRH3SIGMAR1NPY5R
SCHEMBL2002548 0.79 HRH3 (0.67) HRH3SIGMAR1NPY5R
SCHEMBL2000230 0.78 HRH3 (0.66) HRH3SIGMAR1NPY5RKDM4E
SCHEMBL1993740 0.77 HRH3 (0.79) HRH3AVPR1A
SCHEMBL3952096 0.77 HRH3 (1.00) HRH3
SCHEMBL2001389 0.76 HRH3 (0.75) HRH3KMT2ASIGMAR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1795527-B1 CARBAMOYL-SUBSTITUTED SPIRO DERIVATIVE BANYU PHARMA CO LTD (JP) 2009-04-22 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
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
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 HRH3 1/4885KMT2A 79/4885SIGMAR1 121/4885

“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.