SCHEMBL12568554

SCHEMBL12568554

CC1CCC2(CC1)CC(=O)Nc1ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 7/20 0.45
CREBBP Q92793 6/20 0.45
PDK2 Q15119 2/20 0.43
PDK4 Q16654 1/20 0.43
PDE7A Q13946 2/20 0.43
EP300 Q09472 1/20 0.42
PLD1 Q13393 1/20 0.42
APOBEC3A P31941 1/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
AHR P35869 1/20 0.37
NPC1 O15118 1/20 0.36
PLA2G1B P04054 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36

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
SCHEMBL15523145 0.83 PDE7A (0.49) BRD4CREBBPPDK2PDK4PDE7A
SCHEMBL30412849 0.81 PDE7A (0.56) PDK2PDK4PDE7APLD1ALDH1A1
SCHEMBL13641107 0.81 PDE7A (0.56) PDK2PDK4PDE7APLD1ALDH1A1
SCHEMBL8221264 0.80 PLD1 (0.42) BRD4CREBBPPLD1APOBEC3AHTT
SCHEMBL2101880 0.80 BACE1 (0.49) CREBBPPDK2PDK4PDE7APLD1
SCHEMBL13314948 0.79 PLD1 (0.49) BRD4CREBBPPDK2PDK4PDE7A
Hydrochloric Acid SCHEMBL2402549 0.79 BACE1 (0.47) PDK2PDK4PDE7APLD1ALDH1A1
SCHEMBL8222854 0.79 PLD1 (0.42) BRD4CREBBPPDE7APLD1APOBEC3A
SCHEMBL8222861 0.79 ALDH1A1 (0.42) BRD4CREBBPPLD1APOBEC3AHTT
SCHEMBL13880277 0.76 PDE7A (0.67) PDK2PDK4PDE7APLD1ALDH1A1

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 6 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-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
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 BRD4 312/4885CREBBP 1024/4885PDK2 1702/4885

“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.