SCHEMBL989982

SCHEMBL989982

CC(C)(C)OC(=O)N1CCC2(CC2)C[C@H]1CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.40
NR1H2 P55055 7/20 0.38
NR1H3 Q13133 6/20 0.38
RXRA P19793 4/20 0.38
BRD4 O60885 2/20 0.35
OPRD1 P41143 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
ATM Q13315 2/20 0.35
GPR119 Q8TDV5 2/20 0.35
ACHE P22303 1/20 0.35
CYP11B2 P19099 1/20 0.35

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
SCHEMBL2692038 1.00 KDM1A (0.40) KDM1ANR1H2NR1H3RXRABRD4
SCHEMBL933978 0.90 KDM1A (0.36) KDM1ANR1H2NR1H3RXRABRD4
SCHEMBL933976 0.90 KDM1A (0.36) KDM1ANR1H2NR1H3RXRABRD4
SCHEMBL15229767 0.88 KDM1A (0.39) KDM1ANR1H2NR1H3RXRABRD4
SCHEMBL5837973 0.85 OPRK1 (0.39) KDM1ANR1H2NR1H3RXRAATM
SCHEMBL2287977 0.82 OPRD1 (0.48) KDM1ABRD4OPRD1ATM
SCHEMBL2287969 0.82 OPRD1 (0.48) KDM1ABRD4OPRD1ATM
SCHEMBL19540622 0.81 ALDH1A1 (0.36) KDM1ABRD4CRHBPCRHR2
SCHEMBL5838439 0.81 ALDH1A1 (0.40) KDM1ANR1H2NR1H3BRD4OPRD1
SCHEMBL20479505 0.80 PARP1 (0.46) NR1H2NR1H3BRD4GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2454252-B1 Spiro amino compounds suitable for the treatment of (inter alia) sleep disorders and drug addiction Rottapharm Biotech Srl (IT) 2015-03-04 EP disclosed
US-8859608-B2 Spiro amino compounds suitable for the treatment of inter alia sleep disorders and drug addiction ROTTAPHARM BIOTECH S.R.L. (IT) 2014-10-14 US disclosed
US-8859608-B2 Spiro amino compounds suitable for the treatment of inter alia sleep disorders and drug addiction ROTTAPHARM BIOTECH S.R.L. (IT) 2014-10-14 US disclosed
US-8859608-B2 Spiro amino compounds suitable for the treatment of inter alia sleep disorders and drug addiction ROTTAPHARM BIOTECH S.R.L. (IT) 2014-10-14 US disclosed
EP-2454252-A1 SPIRO AMINO COMPOUNDS SUITABLE FOR THE TREATMENT OF INTER ALIA SLEEP DISORDERS AND DRUG ADDICTION Rottapharm S.p.A. (IT) 2012-05-23 EP disclosed
US-20120115882-A1 SPIRO AMINO COMPOUNDS SUITABLE FOR THE TREATMENT OF INTER ALIA SLEEP DISORDERS AND DRUG ADDICTION ROTTAPHARM BIOTECH S.R.L. (IT) 2012-05-10 US disclosed
US-20120115882-A1 SPIRO AMINO COMPOUNDS SUITABLE FOR THE TREATMENT OF INTER ALIA SLEEP DISORDERS AND DRUG ADDICTION ROTTAPHARM BIOTECH S.R.L. (IT) 2012-05-10 US disclosed
US-20120115882-A1 SPIRO AMINO COMPOUNDS SUITABLE FOR THE TREATMENT OF INTER ALIA SLEEP DISORDERS AND DRUG ADDICTION ROTTAPHARM BIOTECH S.R.L. (IT) 2012-05-10 US disclosed
WO-2011006960-A1 SPIRO AMINO COMPOUNDS SUITABLE FOR THE TREATMENT OF INTER ALIA SLEEP DISORDERS AND DRUG ADDICTION ROTTAPHARM S.P.A. (IT) 2011-01-20 WO disclosed
WO-2011006960-A1 SPIRO AMINO COMPOUNDS SUITABLE FOR THE TREATMENT OF INTER ALIA SLEEP DISORDERS AND DRUG ADDICTION ROTTAPHARM S.P.A. (IT) 2011-01-20 WO 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-20120115882-A1 SPIRO AMINO COMPOUNDS SUITABLE FOR THE TREATMENT OF INTER ALIA SLEEP DISORDERS AND DRUG ADDICTION SLC1A1, SLC6A3, SLC1A2 KDM1A 368/4885NR1H2 661/4885NR1H3 619/4885

“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.