SCHEMBL4273605

SCHEMBL4273605

COc1ccc2c(c1)OC1(CCN(C)CC1)CC2=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.59
CA1 P00915 5/20 0.56
CA2 P00918 5/20 0.56
CA7 P43166 5/20 0.56
CA9 Q16790 5/20 0.56
HDAC8 Q9BY41 4/20 0.55
HDAC6 Q9UBN7 4/20 0.55
HDAC3 O15379 2/20 0.55
HDAC4 P56524 2/20 0.55
HDAC1 Q13547 2/20 0.55
HDAC7 Q8WUI4 2/20 0.55
HDAC2 Q92769 2/20 0.55
HDAC10 Q969S8 2/20 0.55
HDAC11 Q96DB2 2/20 0.55
HDAC9 Q9UKV0 2/20 0.55
HDAC5 Q9UQL6 2/20 0.55
HTR2C P28335 1/20 0.55
ALDH1A1 P00352 3/20 0.54
KDM4E B2RXH2 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL13005009 0.90 KDM4E (0.60) CYP19A1CA1CA2CA7CA9
SCHEMBL620043 0.87 KDM4E (0.59) CYP19A1CA1CA2CA7CA9
SCHEMBL11106592 0.85 KDM4E (0.57) CYP19A1CA1CA2CA7CA9
SCHEMBL31260252 0.85 KDM4E (0.57) CYP19A1CA1CA2CA7CA9
SCHEMBL4508454 0.83 KDM4E (0.55) CYP19A1CA1CA2CA7CA9
SCHEMBL22446360 0.83 CYP19A1 (0.60) CYP19A1CA1CA2CA7CA9
Hydrochloric Acid SCHEMBL4261314 0.82 KDM4E (0.54) CYP19A1CA1CA2CA7CA9
SCHEMBL4256584 0.82 CYP19A1 (0.59) CYP19A1CA1CA2CA7CA9
SCHEMBL4275441 0.82 HDAC8 (0.57) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL17709147 0.80 CYP19A1 (0.60) CYP19A1CA1CA2CA7CA9

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
US-20100317679-A1 SUBSTITUTED ARYL-FUSED SPIROCYCLIC AMINES LIGAND PHARMACEUTICALS, INC. (US) 2010-12-16 US disclosed
US-7507824-B2 Spiro(2H-1benzopyran-2,4′-piperidine) derivates as glycine transport inhibitors N.V. ORGANON (NL) 2009-03-24 US disclosed
EP-1232160-B1 SPIRO(2H-1-BENZOPYRAN-2,4'-PIPERIDINE)DERIVATES AS GLYCINE TRANSPORT INHIBITORS ORGANON NV (NL) 2008-06-18 EP disclosed
US-20040029904-A1 Spiro(2H-1benzopyran-2,4'-piperidine) derivates as glycine transport inhibitors MERCK SHARP & DOHME B.V. (NL) 2004-02-12 US disclosed
US-6645973-B1 Heterocyclic amines such as 1-carboxymethyl-4-(4-chlorophenyl) spiro(2H-1-benzopyran-2,4'-piperidine)hydrochloride used for therapy of nervous system disorders; Alzheimer's, Parkinson's and Huntington's disease AKZO NOBEL (NL) 2003-11-11 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 (2 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-20100317679-A1 SUBSTITUTED ARYL-FUSED SPIROCYCLIC AMINES HRH3, HRH4, HRH2 CYP19A1 951/4885CA1 1765/4885CA2 2200/4885
US-20040029904-A1 Spiro(2H-1benzopyran-2,4'-piperidine) derivates as glycine transport inhibitors SLC6A7, SLC1A2, SLC6A1 CYP19A1 3279/4885CA1 2642/4885CA2 607/4885

“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.