SCHEMBL3434003

SCHEMBL3434003

C[C@@H]1CCC[C@H](C)N1C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.39
MGLL Q99685 1/20 0.36
RECQL P46063 1/20 0.33
CYP2C9 P11712 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
GFER P55789 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
SCHEMBL10205026 1.00 ACHE (0.39) ACHEMGLLRECQLCYP2C9TSHR
SCHEMBL13671265 0.88 PHGDH (0.31)
SCHEMBL8259406 0.88 PHGDH (0.31)
SCHEMBL13671266 0.88 PHGDH (0.31)
SCHEMBL23692028 0.83 ACHE (0.32) ACHEMGLL
SCHEMBL19766553 0.79 POLB (0.35) ACHEMGLLRECQL
SCHEMBL21214207 0.75
SCHEMBL14410771 0.73 MAPK1 (0.33)
SCHEMBL17465663 0.73 KDM4E (0.31) TDP1ALDH1A1
SCHEMBL18884046 0.71 MAPK1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357233-A1 HETEROARYL COMPOUNDS, PREPARATION METHODS AND USES THEREOF InventisBio Co., Ltd. (CN) 2023-11-09 US disclosed
US-20230242544-A1 QUINAZOLINE COMPOUNDS, PREPARATION METHODS AND USES THEREOF InventisBio Co., Ltd. (CN) 2023-08-03 US disclosed
US-11648254-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of Ras pathway signaling KUMQUAT BIOSCIENCES INC. (US) 2023-05-16 US disclosed
US-20220315568-A1 INHIBITORS OF SARM1 DISARM THERAPEUTICS, INC. 2022-10-06 US disclosed
US-11028064-B2 Tricyclic heterocyclic derivatives and uses thereof AUCKLAND UNISERVICES LIMITED (NZ) 2021-06-08 US disclosed
US-20190276423-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES AND USES THEREOF AUCKLAND UNISERVICES LIMITED (NZ) 2019-09-12 US disclosed
US-20160009733-A1 REGULATION OF NITRIC OXIDE RELEASE AND BIOFILM DEVELOPMENT UNIVERSITY OF WOLLONGONG (AU) 2016-01-14 US disclosed
US-9156855-B2 Regulation of nitric oxide release and biofilm development Newsouth Innovation Pty Limited (AU) 2015-10-13 US disclosed
US-20140221331-A1 REGULATION OF NITRIC OXIDE RELEASE AND BIOFILM DEVELOPMENT UNIVERSITY OF WOLLONGONG (AU) 2014-08-07 US disclosed
US-20120094986-A1 ANTICANCER DERIVIATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2012-04-19 US disclosed
US-20120053209-A1 ANTICANCER COMPOUNDS, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-03-01 US disclosed
US-20120053170-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF AS ANTICANCER DRUGS SANOFI (FR) 2012-03-01 US disclosed
US-20100093723-A1 HETEROCYCLYL AND CYCLOALKYL SUBSTITUTED THIENO[2,3 d]PYRIMIDINE AND THEIR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2010-04-15 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 (12 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-11648254-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of Ras pathway signaling KRAS, NRAS, BRAF ACHE 4819/4885MGLL 4839/4885RECQL 287/4885
US-11028064-B2 Tricyclic heterocyclic derivatives and uses thereof CSF3R, CSF1R, FLT3 ACHE 1753/4885MGLL 3298/4885RECQL 3183/4885
US-20230242544-A1 QUINAZOLINE COMPOUNDS, PREPARATION METHODS AND USES THEREOF KRAS, NRAS, HRAS ACHE 4326/4885MGLL 4480/4885RECQL 122/4885
US-20120053170-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF AS ANTICANCER DRUGS NAMPT, NNT, NQO1 ACHE 3042/4885MGLL 2998/4885RECQL 842/4885
US-20120094986-A1 ANTICANCER DERIVIATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF NAMPT, NQO1, NNT ACHE 3429/4885MGLL 4048/4885RECQL 1423/4885
US-20160009733-A1 REGULATION OF NITRIC OXIDE RELEASE AND BIOFILM DEVELOPMENT NOS1, NOS2, NOS3 ACHE 3009/4885MGLL 812/4885RECQL 4484/4885
US-20100093723-A1 HETEROCYCLYL AND CYCLOALKYL SUBSTITUTED THIENO[2,3 d]PYRIMIDINE AND THEIR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS ADORA2A, ADORA3, ADORA2B ACHE 780/4885MGLL 4523/4885RECQL 452/4885
US-20190276423-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES AND USES THEREOF CSF3R, CSF1R, FLT3 ACHE 1753/4885MGLL 3298/4885RECQL 3183/4885
US-20220315568-A1 INHIBITORS OF SARM1 SARM1, SMN1; SMN2, SARNP ACHE 3185/4885MGLL 3429/4885RECQL 3312/4885
US-20140221331-A1 REGULATION OF NITRIC OXIDE RELEASE AND BIOFILM DEVELOPMENT NOS1, NOS2, NOS3 ACHE 3009/4885MGLL 812/4885RECQL 4484/4885
US-20120053209-A1 ANTICANCER COMPOUNDS, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF NAMPT, NQO1, NADK ACHE 3699/4885MGLL 2966/4885RECQL 1309/4885
US-20230357233-A1 HETEROARYL COMPOUNDS, PREPARATION METHODS AND USES THEREOF KRAS, NRAS, HRAS ACHE 4711/4885MGLL 3247/4885RECQL 322/4885

“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.