SCHEMBL467536

SCHEMBL467536

CCNCCNC(=O)C(F)(F)F

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA3 P07451 2/20 0.67
CA5A P35218 2/20 0.67
CA5B Q9Y2D0 2/20 0.67
ALDH1A1 P00352 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
POLB P06746 1/20 0.58
EPHX1 P07099 1/20 0.57
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
CA14 Q9ULX7 2/20 0.55
CA2 P00918 2/20 0.55
CA12 O43570 1/20 0.55
CA4 P22748 1/20 0.55
CA6 P23280 1/20 0.55
CA7 P43166 1/20 0.55
CA9 Q16790 1/20 0.55
GLA P06280 1/20 0.35
HPGD P15428 1/20 0.35
ALOX12 P18054 1/20 0.35
MTNR1A P48039 2/20 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
SCHEMBL467174 0.88 CA3 (0.74) CA3CA5ACA5BALDH1A1SMN1; SMN2
SCHEMBL10231803 0.86 CA3 (0.86) CA3CA5ACA5BALDH1A1SMN1; SMN2
SCHEMBL1252712 0.86 CA3 (0.86) CA3CA5ACA5BALDH1A1SMN1; SMN2
SCHEMBL13861685 0.83 ALDH1A1 (0.79) CA3CA5ACA5BALDH1A1SMN1; SMN2
SCHEMBL2887269 0.81 ALDH1A1 (0.56) CA3CA5ACA5BALDH1A1SMN1; SMN2
SCHEMBL3478019 0.80 CA3 (0.42) CA3CA5ACA5BALDH1A1SMN1; SMN2
SCHEMBL993779 0.79 EPHX1 (0.69) CA3CA5ACA5BALDH1A1SMN1; SMN2
SCHEMBL1387208 0.79
SCHEMBL6450550 0.78 CA3 (0.73) CA3CA5ACA5BALDH1A1SMN1; SMN2
SCHEMBL22851436 0.78 ALDH1A1 (0.58) CA3CA5ACA5BALDH1A1SMN1; SMN2

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 99 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022016195-A1 PROCESSES FOR THE PREPARATION OF ARGINASE INHIBITORS AND THEIR SYNTHETIC INTERMEDIATES INCYTE CORPORATION (US) 2022-01-20 WO disclosed
EP-2349241-B1 PHARMACEUTICAL COMPOSITIONS WITH ATTENUATED RELEASE OF PHENOLIC OPIOIDS SIGNATURE THERAPEUTICS INC (US) 2019-06-19 EP disclosed
EP-2684874-B1 Fused bicyclic derivatives of 2,4-diaminopyrimidine as alk and C-met inhibitors CEPHALON INC (US) 2017-05-17 EP disclosed
US-9585963-B2 Compositions comprising enzyme-cleavable opioid prodrugs and inhibitors thereof SIGNATURE THERAPEUTICS, INC. (US) 2017-03-07 US disclosed
US-9585963-B2 Compositions comprising enzyme-cleavable opioid prodrugs and inhibitors thereof SIGNATURE THERAPEUTICS, INC. (US) 2017-03-07 US disclosed
US-9585963-B2 Compositions comprising enzyme-cleavable opioid prodrugs and inhibitors thereof SIGNATURE THERAPEUTICS, INC. (US) 2017-03-07 US disclosed
US-9534014-B2 Pharmaceutical compositions with attenuated release of phenolic opioids SIGNATURE THERAPEUTICS, INC. (US) 2017-01-03 US disclosed
US-9534014-B2 Pharmaceutical compositions with attenuated release of phenolic opioids SIGNATURE THERAPEUTICS, INC. (US) 2017-01-03 US disclosed
US-20150297736-A1 Compositions Comprising Enzyme-Cleavable Opioid Prodrugs and Inhibitors Thereof 3I, LP 2015-10-22 US disclosed
US-20150297736-A1 Compositions Comprising Enzyme-Cleavable Opioid Prodrugs and Inhibitors Thereof 3I, LP 2015-10-22 US disclosed
EP-2063886-A2 USE OF N-CONTAINING SPIROCOMPOUNDS FOR THE ENHANCEMENT OF COGNITIVE FUNCTION Adolor Corporation (US) 2009-06-03 EP disclosed
US-20080119452-A1 METHODS FOR ENHANCING COGNITIVE FUNCTION CALIXA THERAPEUTICS, INC. 2008-05-22 US disclosed
US-20080119452-A1 METHODS FOR ENHANCING COGNITIVE FUNCTION CALIXA THERAPEUTICS, INC. 2008-05-22 US disclosed
US-20080119452-A1 METHODS FOR ENHANCING COGNITIVE FUNCTION CALIXA THERAPEUTICS, INC. 2008-05-22 US disclosed
CN-101184749-A Spirocyclic heterocyclic derivatives and methods of their use ADOLOR CORP (US) 2008-05-21 CN disclosed
WO-2008051547-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON, INC. (US) 2008-05-02 WO disclosed
WO-2008033299-A2 USE OF N-CONTAINING SPIROCOMPOUNDS FOR THE ENHANCEMENT OF COGNITIVE FUNCTION ADOLOR CORPORATION (US) 2008-03-20 WO disclosed
EP-1871761-A2 SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE Adolor Corporation (US) 2008-01-02 EP disclosed
US-20060270695-A1 Spirocyclic heterocyclic derivatives and methods of their use CUBIST PHARMACEUTICALS, INC. 2006-11-30 US disclosed
WO-2006105442-A2 SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2006-10-05 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 (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-20080119452-A1 METHODS FOR ENHANCING COGNITIVE FUNCTION CHAT, GRIN2C, GRIN2A CA3 1048/4885CA5A 2427/4885CA5B 2765/4885
US-20060270695-A1 Spirocyclic heterocyclic derivatives and methods of their use OPRK1, OPRD1, OPRL1 CA3 1168/4885CA5A 2117/4885CA5B 2640/4885
US-20150297736-A1 Compositions Comprising Enzyme-Cleavable Opioid Prodrugs and Inhibitors Thereof ACHE, OPRM1, DNPEP CA3 395/4885CA5A 1614/4885CA5B 1295/4885

“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.