SCHEMBL10284012

SCHEMBL10284012

CCC(C)N1CCN2CCCCC2C1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.41
TSHR P16473 6/20 0.41
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
TP53 P04637 1/20 0.38
ALDH1A1 P00352 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CHRM2 P08172 4/20 0.35
CHRM1 P11229 4/20 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
SCHEMBL10236308 0.95 MEN1 (0.43) SIGMAR1TSHRMEN1KMT2ATP53
SCHEMBL20094631 0.85 SIGMAR1 (0.49) SIGMAR1TSHRMEN1KMT2ATP53
SCHEMBL13266478 0.84 SIGMAR1 (0.42) SIGMAR1TSHRMEN1KMT2AALDH1A1
SCHEMBL23822993 0.83 SIGMAR1 (0.33) SIGMAR1TSHRMEN1KMT2ATP53
SCHEMBL13037120 0.82 MEN1 (0.39) SIGMAR1TSHRMEN1KMT2ATP53
SCHEMBL13037121 0.82 MEN1 (0.39) SIGMAR1TSHRMEN1KMT2ATP53
SCHEMBL2603326 0.82 MEN1 (0.39) SIGMAR1TSHRMEN1KMT2ATP53
SCHEMBL23977741 0.80 MEN1 (0.39) SIGMAR1TSHRMEN1KMT2ATP53
SCHEMBL24899450 0.80 HRH3 (0.41) SIGMAR1TSHRMEN1KMT2ATP53
SCHEMBL21038317 0.80 TSHR (0.35) SIGMAR1TSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10988477-B2 GCN2 inhibitors and uses thereof MERCK PATENT GMBH (DE) 2021-04-27 US disclosed
US-20210040083-A1 GCN2 INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-02-11 US disclosed
US-20190233425-A1 GCN2 INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-08-01 US disclosed
US-20120016122-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. 2012-01-19 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 (4 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-20120016122-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 SIGMAR1 4066/4885TSHR 3902/4885MEN1 4152/4885
US-20210040083-A1 GCN2 INHIBITORS AND USES THEREOF EIF2AK4, GCN1, GCGR SIGMAR1 2011/4885TSHR 4808/4885MEN1 3168/4885
US-10988477-B2 GCN2 inhibitors and uses thereof EIF2AK4, GCN1, EIF2AK1 SIGMAR1 2335/4885TSHR 4675/4885MEN1 3537/4885
US-20190233425-A1 GCN2 INHIBITORS AND USES THEREOF EIF2AK4, GCN1, GCGR SIGMAR1 2011/4885TSHR 4808/4885MEN1 3168/4885

“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.