SCHEMBL6636019

SCHEMBL6636019

CC(C)(C)OC(=O)N1CC(CCO)C(CCO)C1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.57
USP2 O75604 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PDE4B Q07343 2/20 0.43
NAMPT P43490 1/20 0.41
HPGD P15428 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
RECQL P46063 1/20 0.39
EPHX1 P07099 1/20 0.39
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
RORC P51449 1/20 0.37
EPHX2 P34913 1/20 0.37

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
SCHEMBL6636016 1.00 NR1H2 (0.57) NR1H2USP2SMN1; SMN2PDE4BNAMPT
SCHEMBL17310854 0.95 NR1H2 (0.56) NR1H2USP2SMN1; SMN2PDE4BNAMPT
SCHEMBL12877735 0.95 NR1H2 (0.53) NR1H2USP2SMN1; SMN2PDE4BNAMPT
SCHEMBL12620811 0.95 NR1H2 (0.53) NR1H2USP2SMN1; SMN2PDE4BNAMPT
SCHEMBL16963312 0.95 NR1H2 (0.56) NR1H2USP2SMN1; SMN2PDE4BNAMPT
SCHEMBL16080212 0.92 NR1H2 (0.53) NR1H2USP2SMN1; SMN2PDE4BNAMPT
SCHEMBL13052105 0.88 NR1H2 (0.47) NR1H2USP2SMN1; SMN2PDE4BNAMPT
SCHEMBL19819953 0.86 NR1H2 (0.48) NR1H2USP2SMN1; SMN2PDE4BNAMPT
SCHEMBL1277182 0.86 NR1H2 (0.61) NR1H2USP2SMN1; SMN2PDE4BNAMPT
SCHEMBL1014216 0.85 NR1H2 (0.65) NR1H2USP2SMN1; SMN2PDE4BNAMPT

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
WO-2020234636-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF MAMMALIAN INFECTIONS CADILA HEALTHCARE LIMITED (IN) 2020-11-26 WO disclosed
WO-2020234636-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF MAMMALIAN INFECTIONS CADILA HEALTHCARE LIMITED (IN) 2020-11-26 WO disclosed
US-8846951-B2 Modulators of 5-HT receptors and methods of use thereof ABBVIE INC. (US) 2014-09-30 US disclosed
US-20110118231-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-05-19 US disclosed
EP-1061076-B1 N-ACYL CYCLIC AMINE DERIVATIVES BANYU PHARMA CO LTD (JP) 2004-12-08 EP disclosed
EP-1061076-A1 N-ACYL CYCLIC AMINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-12-20 EP disclosed
US-6140333-A FOR TREATMENT AND/OR PROPHYLAXIS OF DISEASES INCLUDE SUCH RESPIRATORY DISEASES AS CHRONIC OBSTRUCTIVE PULMONARY DISEASES, CHRONIC BRONCHITIS, ASTHMA, CHRONIC RESPIRATORY OBSTRUCTION, PULMONARY FIBROSIS, PULMONARY EMPHYSEMA BANYU PHARMACEUTICAL CO LTD (JP) 2000-10-31 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-20110118231-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C NR1H2 358/4885USP2 2342/4885SMN1; SMN2 4775/4885

“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.