SCHEMBL9924593

SCHEMBL9924593

CCN(C)c1cnc(C(C)(C)C)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.36
AOC3 Q16853 1/20 0.35
POLB P06746 1/20 0.33
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PI4KA P42356 1/20 0.32
PIK3CG P48736 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
GBA1 P04062 1/20 0.32
ALDH1A1 P00352 1/20 0.31
PIM1 P11309 1/20 0.30
PIM3 Q86V86 1/20 0.30
PIM2 Q9P1W9 1/20 0.30

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
SCHEMBL19413057 0.85 AOC3 (0.34) TRPV1AOC3POLBLMNAKDM4E
SCHEMBL9924594 0.82 GBA1 (0.44) AOC3KDM4ESMN1; SMN2GBA1ALDH1A1
SCHEMBL9924592 0.79 CKS1B (0.33) TRPV1
SCHEMBL12690244 0.78 GPBAR1 (0.39) POLBLMNAKDM4EHTTNPSR1
SCHEMBL9925938 0.74 AOC3 (0.35) TRPV1AOC3POLBPIK3CDPIK3CA
SCHEMBL179289 0.74 AOC3 (0.35) TRPV1AOC3POLBKDM4EPIK3CD
SCHEMBL824021 0.73 TSHR (0.32)
SCHEMBL21769321 0.72 PIK3CD (0.39) AOC3POLBPIK3CDPIK3CAPIK3CB
SCHEMBL12186836 0.72 AOC3 (0.34) TRPV1AOC3POLBPIK3CDPIK3CA
SCHEMBL16454357 0.72 KMT2A (0.36) TRPV1LMNASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11541059-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2023-01-03 US disclosed
US-20210000837-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2021-01-07 US disclosed
US-10675286-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2020-06-09 US disclosed
US-10329299-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2019-06-25 US disclosed
US-20180055852-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2018-03-01 US disclosed
US-20180055852-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2018-03-01 US disclosed
US-20180044346-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2018-02-15 US disclosed
US-20180044346-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2018-02-15 US disclosed
US-9828377-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-11-28 US disclosed
US-9828377-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-11-28 US disclosed
US-20160031886-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2016-02-04 US disclosed
US-20150290207-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2015-10-15 US disclosed
US-20150225410-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2015-08-13 US disclosed
US-20150111874-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2015-04-23 US disclosed
US-20150105385-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2015-04-16 US disclosed
US-8940742-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2015-01-27 US disclosed
US-20140377258-A1 Treatment Of Cancers Using PI3 Kinase Isoform Modulators INFINITY PHARMACEUTICALS, INC. (US) 2014-12-25 US disclosed
US-20140350248-A1 CHEMICAL ENTITIES AND THERAPEUTIC USES THEREOF Intellikine, LLC. (US) 2014-11-27 US disclosed
US-20130267521-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE LLC (US) 2013-10-10 US disclosed
US-20120149701-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2012-06-14 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 (15 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-10675286-B2 Heterocyclic compounds and uses thereof PIK3CA, PIK3CD, PIK3CB TRPV1 1977/4885AOC3 2743/4885POLB 1743/4885
US-20140350248-A1 CHEMICAL ENTITIES AND THERAPEUTIC USES THEREOF PIK3CA, PIK3CB, PIK3C3 TRPV1 953/4885AOC3 4298/4885POLB 1910/4885
US-20140377258-A1 Treatment Of Cancers Using PI3 Kinase Isoform Modulators PIK3CA, MCL1, PIK3CB TRPV1 4849/4885AOC3 4440/4885POLB 718/4885
US-20150105385-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB TRPV1 1977/4885AOC3 2743/4885POLB 1743/4885
US-10329299-B2 Heterocyclic compounds and uses thereof PIK3CA, AKT1, AKT2 TRPV1 2414/4885AOC3 2232/4885POLB 1683/4885
US-11541059-B2 Heterocyclic compounds and uses thereof PIK3CA, PIK3CD, PIK3CB TRPV1 1977/4885AOC3 2743/4885POLB 1743/4885
US-20150290207-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB TRPV1 1977/4885AOC3 2743/4885POLB 1743/4885
US-20150225410-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB TRPV1 1977/4885AOC3 2743/4885POLB 1743/4885
US-20120149701-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A TRPV1 2908/4885AOC3 2154/4885POLB 2458/4885
US-20210000837-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB TRPV1 1977/4885AOC3 2743/4885POLB 1743/4885
US-20130267521-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB TRPV1 1977/4885AOC3 2743/4885POLB 1743/4885
US-20180055852-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB TRPV1 1977/4885AOC3 2743/4885POLB 1743/4885
US-20160031886-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB TRPV1 2038/4885AOC3 2839/4885POLB 2182/4885
US-20150111874-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB TRPV1 1977/4885AOC3 2743/4885POLB 1743/4885
US-20180044346-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB TRPV1 1977/4885AOC3 2743/4885POLB 1743/4885

“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.