SCHEMBL10242881

SCHEMBL10242881

C[C@H]1CCC(C(=O)O)CN1C(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.58
▸ NPC1 O15118 2/20 0.58
▸ RAB9A P51151 2/20 0.58
▸ HTR2C P28335 1/20 0.53
▸ PDK1 Q15118 1/20 0.52
▸ PDK2 Q15119 1/20 0.52
▸ PDK3 Q15120 1/20 0.52
▸ PDK4 Q16654 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ CYP2C19 P33261 1/20 0.49
▸ CACNA1G O43497 1/20 0.46
▸ CACNA1H O95180 1/20 0.46
▸ CACNA1I Q9P0X4 1/20 0.46
▸ AGTR2 P50052 2/20 0.46

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
SCHEMBL1320776 1.00 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9AHTR2CPDK1
SCHEMBL1317704 1.00 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9AHTR2CPDK1
SCHEMBL14630640 1.00 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9AHTR2CPDK1
SCHEMBL1320076 1.00 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9AHTR2CPDK1
SCHEMBL2444107 1.00 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9AHTR2CPDK1
SCHEMBL10189895 1.00 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9AHTR2CPDK1
SCHEMBL12612998 0.91 HTR2C (0.52) SMN1; SMN2NPC1RAB9AHTR2CPDK1
SCHEMBL12817613 0.90 HTR2C (0.51) SMN1; SMN2NPC1RAB9AHTR2CPDK1
SCHEMBL12812139 0.90 HTR2C (0.51) SMN1; SMN2NPC1RAB9AHTR2CPDK1
SCHEMBL14630828 0.89 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AHTR2CPDK1

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
EP-2688890-A1 SUBSTITUTED FUSED TRICYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF Advinus Therapeutics Limited (IN) 2014-01-29 — — EP disclosed
WO-2012127506-A1 SUBSTITUTED FUSED TRICYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF ADVINUS THERAPEUTICS LIMITED (IN) 2012-09-27 — — WO disclosed
US-20120165306-A1 PYRAZINYLPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2012-06-28 — — US disclosed
US-20120157433-A1 Heteroaryl Compounds as Kinase Inhibitors PFISTER KEITH B (US) 2012-06-21 — — US disclosed
US-20110130380-A1 Heteroaryl Kinase Inhibitors NOVARTIS AG (CH) 2011-06-02 — — 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 (3 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-20120157433-A1 Heteroaryl Compounds as Kinase Inhibitors CDK2, CDK1, CDK6 SMN1; SMN2 2126/4885NPC1 1136/4885RAB9A 1502/4885
US-20110130380-A1 Heteroaryl Kinase Inhibitors CDK2, CDK1, CDKL1 SMN1; SMN2 2172/4885NPC1 852/4885RAB9A 1841/4885
US-20120165306-A1 PYRAZINYLPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES CDK4, CDK1, CCNI SMN1; SMN2 2827/4885NPC1 2535/4885RAB9A 2538/4885

“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.

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