SCHEMBL347130

SCHEMBL347130

CCCN1CC2(CCNCC2)C1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.47
CYP2D6 P10635 9/20 0.43
ALDH1A1 P00352 6/20 0.36
HPGD P15428 4/20 0.36
HSD17B10 Q99714 3/20 0.36
KDM1A O60341 1/20 0.36
MAOB P27338 1/20 0.36
RCOR1 Q9UKL0 1/20 0.36
CYP3A4 P08684 4/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2C9 P11712 3/20 0.34
CYP1A2 P05177 3/20 0.34
USP2 O75604 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TP53 P04637 2/20 0.33
HIF1A Q16665 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL26503872 0.88 TSHR (0.58) TSHRCYP2D6ALDH1A1KDM1AMAOB
SCHEMBL25653952 0.86 GNAO1 (0.45) TSHRCYP2D6
SCHEMBL10263100 0.86 TSHR (0.56) TSHRCYP2D6ALDH1A1HPGDKDM1A
SCHEMBL21210783 0.84 GNAO1 (0.47) TSHRCYP2D6ALDH1A1CYP2C19CYP1A2
SCHEMBL23255829 0.84
SCHEMBL10128587 0.82 TSHR (0.60) TSHRCYP2D6ALDH1A1HPGDHSD17B10
SCHEMBL10263353 0.81 TSHR (0.50) TSHRCYP2D6ALDH1A1HPGDKDM1A
SCHEMBL26718342 0.79 TSHR (0.31) TSHR
SCHEMBL23255921 0.79 TSHR (0.31) TSHR
SCHEMBL22241793 0.78 TSHR (0.44) TSHRCYP2D6ALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023011610-A1 BENZODIOXANE COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 南京红云生物科技有限公司 2023-02-09 WO disclosed
EP-3656769-B1 ARYL-PHOSPHORUS-OXYGEN COMPOUND AS EGFR KINASE INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2023-01-25 EP disclosed
WO-2021249324-A1 ALKENYL PYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 南京红云生物科技有限公司 2021-12-16 WO disclosed
WO-2021238827-A1 EGFR INHIBITOR AND PREPARATION METHOD AND USE THEREOF 南京红云生物科技有限公司 2021-12-02 WO disclosed
WO-2020150372-A1 ANTIMICROBIAL COMPOUNDS AND METHODS CURZA GLOBAL, LLC (US) 2020-07-23 WO disclosed
WO-2020069027-A1 TREATMENT OF HEMATOLOGICAL MALIGNANCIES WITH INHIBITORS OF MENIN KURA ONCOLOGY, INC. (US) 2020-04-02 WO disclosed
WO-2017161028-A1 SUBSTITUTED INHIBITORS OF MENIN-MLL AND METHODS OF USE KURA ONCOLOGY, INC. (US) 2017-09-21 WO disclosed
EP-2520568-B1 Spirocyclic nitriles as inhibitors of protease SANOFI SA (FR) 2015-09-09 EP disclosed
US-20140073662-A1 Spirocyclic nitriles as protease inhibitors SANOFI (FR) 2014-03-13 US disclosed
US-8609681-B2 Spirocyclic nitriles as protease inhibitors SANOFI (FR) 2013-12-17 US disclosed
EP-2520568-A1 Spirocyclic nitriles as inhibitors of protease SANOFI (FR) 2012-11-07 EP disclosed
EP-2032535-B1 SPIROCYCLIC NITRILES AS PROTEASE INHIBITORS SANOFI SA (FR) 2012-08-01 EP disclosed
US-20120015933-A1 Spirocyclic nitriles as protease inhibitors SANOFI-AVENTIS (FR) 2012-01-19 US disclosed
US-8039480-B2 Spirocyclic nitriles as protease inhibitors SANOFI-AVENTIS (FR) 2011-10-18 US disclosed
US-20090275523-A1 Spirocyclic nitriles as protease inhibitors SANOFI-AVENTIS (FR) 2009-11-05 US disclosed
EP-2032535-A1 SPIROCYCLIC NITRILES AS PROTEASE INHIBITORS Sanofi-Aventis (FR) 2009-03-11 EP disclosed
WO-2007137738-A1 SPIROCYCLIC NITRILES AS PROTEASE INHIBITORS SANOFI-AVENTIS (DE) 2007-12-06 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-20090275523-A1 Spirocyclic nitriles as protease inhibitors CTRL, SERPINB1, PREP TSHR 4046/4885CYP2D6 644/4885ALDH1A1 633/4885
US-20120015933-A1 Spirocyclic nitriles as protease inhibitors CTRL, SERPINB1, PREP TSHR 4046/4885CYP2D6 644/4885ALDH1A1 633/4885
US-20140073662-A1 Spirocyclic nitriles as protease inhibitors CTRL, SERPINB1, PREP TSHR 4046/4885CYP2D6 644/4885ALDH1A1 633/4885

“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.