SCHEMBL4227407

SCHEMBL4227407

CC(C)(C)OC(=O)N1CCC(COCCCO)CC1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.48
HPGD P15428 1/20 0.47
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46
RECQL P46063 1/20 0.45
EPHX1 P07099 1/20 0.45
FAAH O00519 1/20 0.45
NR1H2 P55055 1/20 0.44
GLS O94925 1/20 0.43
USP2 O75604 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL21998064 0.93 HPGD (0.48) GPR119HPGDKDM4EPKMRECQL
SCHEMBL14395365 0.89 GPR119 (0.51) GPR119HPGDKDM4EPKMRECQL
SCHEMBL21997726 0.87 GPR119 (0.47) GPR119HPGDKDM4EPKMRECQL
SCHEMBL5039032 0.87 GPR119 (0.47) GPR119HPGDKDM4EPKMRECQL
SCHEMBL20071875 0.87 HPGD (0.50) GPR119HPGDKDM4EPKMRECQL
SCHEMBL796239 0.86 HPGD (0.53) GPR119HPGDKDM4EPKMRECQL
SCHEMBL6135373 0.86 GPR119 (0.50) GPR119HPGDKDM4EPKMRECQL
SCHEMBL30230188 0.86 KDM4E (0.49) GPR119HPGDKDM4EPKMRECQL
SCHEMBL30102395 0.86 HPGD (0.47) GPR119HPGDKDM4EPKMRECQL
SCHEMBL560636 0.85 GPR119 (0.55) GPR119HPGDKDM4EPKMRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090192153-A1 NOVEL ADENINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. a corporation of Japan (JP) 2009-07-30 US disclosed
US-20090192153-A1 NOVEL ADENINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. a corporation of Japan (JP) 2009-07-30 US disclosed
US-20090192153-A1 NOVEL ADENINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. a corporation of Japan (JP) 2009-07-30 US disclosed
EP-1939198-A1 NOVEL ADENINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-07-02 EP disclosed
US-6455548-B2 FOR PROPHYLAXIS AND THERAPY OF ASTHMA, ALLERGIC RHINITIS, DERMATITIS, CONJUNCTIVITIS, ATHEROSCLEROSIS OR RHEUMATOID ARTHRITIS, INFECTION BY HIV, DELAYING OF THE ONSET OF AIDS MERCK & CO., INC. 2002-09-24 US disclosed
US-20020013348-A1 4-alkyl piperidinyl pyrrolidine modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. 2002-01-31 US disclosed
WO-2001064216-A1 4-ALKYL PIPERIDINYL PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2001-09-07 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 (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-20020013348-A1 4-alkyl piperidinyl pyrrolidine modulators of chemokine receptor activity CCR1, CCR4, CCR3 GPR119 370/4885HPGD 2019/4885KDM4E 1758/4885
US-20090192153-A1 NOVEL ADENINE COMPOUND ADORA1, SLC28A1, ADORA2A GPR119 878/4885HPGD 768/4885KDM4E 3532/4885

“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.