SCHEMBL6960762

SCHEMBL6960762

CC(C)CCNC1CCNCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.54
GNAI3 P08754 3/20 0.52
GNAO1 P09471 3/20 0.52
GNAI1 P63096 3/20 0.52
KCNH2 Q12809 1/20 0.41
RAD52 P43351 1/20 0.38
SMYD3 Q9H7B4 1/20 0.38
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC6A2 P23975 5/20 0.36
SLC6A4 P31645 5/20 0.36
DPP7 Q9UHL4 1/20 0.35
EPHX1 P07099 2/20 0.34
SLC6A3 Q01959 1/20 0.34

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
Butane SCHEMBL27323486 0.93 GNAI3 (0.59) SOS1GNAI3GNAO1GNAI1KCNH2
SCHEMBL4634177 0.88 KCNH2 (0.57) SOS1GNAI3GNAO1GNAI1KCNH2
SCHEMBL20648825 0.88 GNAI3 (0.58) SOS1GNAI3GNAO1GNAI1KCNH2
SCHEMBL19560897 0.86 GNAI3 (0.61) SOS1GNAI3GNAO1GNAI1KCNH2
SCHEMBL19604920 0.85 GNAI3 (0.64) SOS1GNAI3GNAO1GNAI1KCNH2
SCHEMBL4668397 0.84
SCHEMBL20626535 0.84 SOS1 (0.51) SOS1GNAI3GNAO1GNAI1KCNH2
SCHEMBL27909545 0.84 SOS1 (0.51) SOS1GNAI3GNAO1GNAI1KCNH2
SCHEMBL21218127 0.82 GNAI3 (0.51) SOS1GNAI3GNAO1GNAI1KCNH2
SCHEMBL5646115 0.80 GNAI3 (0.47) SOS1GNAI3GNAO1GNAI1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210094912-A1 INDOLE DERIVATIVES AS EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERISTY OF NEW JERSEY (US) 2021-04-01 US disclosed
WO-2018140809-A1 MODULATORS OF ESTROGEN RECEPTOR PROTEOLYSIS AND ASSOCIATED METHODS OF USE Arvinas, Inc. (US) 2018-08-02 WO disclosed
US-9815834-B2 Quinolone derivatives as fibroblast growth factor receptor inhibitors PRINCIPIA BIOPHARMA, INC. (US) 2017-11-14 US disclosed
US-9815834-B2 Quinolone derivatives as fibroblast growth factor receptor inhibitors PRINCIPIA BIOPHARMA, INC. (US) 2017-11-14 US disclosed
US-20170209448-A1 TREATMENT REGIMENS USING MULTIPLE PHARMACEUTICAL AGENTS INTELLIKINE LLC 2017-07-27 US disclosed
US-20160229849-A1 QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR RECEPTOR INHIBITORS PRINCIPIA BIOPHARMA INC. 2016-08-11 US disclosed
US-8349857-B2 Quinazoline derivatives having tyrosine kinase inhibitory activity SHIONOGI & CO., LTD. (JP) 2013-01-08 US disclosed
US-8324265-B2 Heterocyclic compounds having type I 11β hydroxysteroid dehydrogenase inhibitory activity SHIONOGI & CO., LTD. (JP) 2012-12-04 US disclosed
US-8324265-B2 Heterocyclic compounds having type I 11β hydroxysteroid dehydrogenase inhibitory activity SHIONOGI & CO., LTD. (JP) 2012-12-04 US disclosed
US-8202879-B2 Quinazoline derivatives having tyrosine kinase inhibitory activity SHIONOGI & CO., LTD. (JP) 2012-06-19 US disclosed
US-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-05-17 US disclosed
CN-1871215-B Cyclic derivatives as modulators of chemokine receptor activity BRISTOL MYERS SQUIBB CO 2011-06-08 CN disclosed
US-20090170832-A1 HETEROCYCLIC COMPOUNDS HAVING TYPE I 11beta HYDROXYSTEROID DEHYDROGENASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2009-07-02 US disclosed
US-20090170832-A1 HETEROCYCLIC COMPOUNDS HAVING TYPE I 11beta HYDROXYSTEROID DEHYDROGENASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2009-07-02 US disclosed
US-20090143414-A1 Quinazoline Derivatives Having Tyrosine Kinase Inhibitory Activity SHIONOGI & CO., LTD. (JP) 2009-06-04 US disclosed
CN-1871215-A Cyclic derivatives as modulators of chemokine receptor activity BRISTOL MYERS SQUIBB CO (US) 2006-11-29 CN 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 (6 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-20090143414-A1 Quinazoline Derivatives Having Tyrosine Kinase Inhibitory Activity ERBB2, EGFR, ABL1 SOS1 1447/4885GNAI3 1103/4885GNAO1 1410/4885
US-20210094912-A1 INDOLE DERIVATIVES AS EFFLUX PUMP INHIBITORS ABCB11, ABCB1, ABCG2 SOS1 2695/4885GNAI3 412/4885GNAO1 1747/4885
US-20090170832-A1 HETEROCYCLIC COMPOUNDS HAVING TYPE I 11beta HYDROXYSTEROID DEHYDROGENASE INHIBITORY ACTIVITY HSD17B1, HSD11B1, HSD3B1 SOS1 1447/4885GNAI3 1745/4885GNAO1 448/4885
US-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY ERBB2, EGFR, ABL1 SOS1 1447/4885GNAI3 1103/4885GNAO1 1410/4885
US-20170209448-A1 TREATMENT REGIMENS USING MULTIPLE PHARMACEUTICAL AGENTS MPL, MTX2, SLC10A1 SOS1 4020/4885GNAI3 3008/4885GNAO1 3626/4885
US-20160229849-A1 QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR RECEPTOR INHIBITORS FGFR1, FGFR3, FGFR2 SOS1 1750/4885GNAI3 743/4885GNAO1 1731/4885

“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.